N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

C48H67N11O12 — CID 160519867

IUPACN-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCc1c(C(=O)CCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CCN(CCNC(=O)CCN)CCN(CCCC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)ccn(C)c1=O
InChIInChI=1S/C48H67N11O12/c1-32-33(11-21-53(2)45(32)68)37(60)8-6-19-57(26-17-51-43(66)35-13-23-55(4)47(70)41(35)64)28-30-59(25-16-50-39(62)10-15-49)31-29-58(20-7-9-38(61)34-12-22-54(3)46(69)40(34)63)27-18-52-44(67)36-14-24-56(5)48(71)42(36)65/h11-14,21-24,63-65H,6-10,15-20,25-31,49H2,1-5H3,(H,50,62)(H,51,66)(H,52,67)
InChIKeyGTAXGSZZRMZYBK-UHFFFAOYSA-N
MW990.13 g/mol
LogP-1.24
Rot. Bonds29

About N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 160519867) has the molecular formula C48H67N11O12 and a molecular weight of 990.13 g/mol. Its IUPAC name is N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID160519867
Molecular FormulaC48H67N11O12
Molecular Weight990.13 g/mol
Exact Mass989.50
IUPAC NameN-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCc1c(C(=O)CCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CCN(CCNC(=O)CCN)CCN(CCCC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)ccn(C)c1=O
InChIInChI=1S/C48H67N11O12/c1-32-33(11-21-53(2)45(32)68)37(60)8-6-19-57(26-17-51-43(66)35-13-23-55(4)47(70)41(35)64)28-30-59(25-16-50-39(62)10-15-49)31-29-58(20-7-9-38(61)34-12-22-54(3)46(69)40(34)63)27-18-52-44(67)36-14-24-56(5)48(71)42(36)65/h11-14,21-24,63-65H,6-10,15-20,25-31,49H2,1-5H3,(H,50,62)(H,51,66)(H,52,67)
InChIKeyGTAXGSZZRMZYBK-UHFFFAOYSA-N
XLogP-1.24
TPSA305.87 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500990.13
LogP ≤ 5-1.24
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 160519867) is N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is Cc1c(C(=O)CCCN(CCNC(=O)c2ccn(C)c(=O)c2O)CCN(CCNC(=O)CCN)CCN(CCCC(=O)c2ccn(C)c(=O)c2O)CCNC(=O)c2ccn(C)c(=O)c2O)ccn(C)c1=O.
What is the InChIKey of N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is GTAXGSZZRMZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H67N11O12/c1-32-33(11-21-53(2)45(32)68)37(60)8-6-19-57(26-17-51-43(66)35-13-23-55(4)47(70)41(35)64)28-30-59(25-16-50-39(62)10-15-49)31-29-58(20-7-9-38(61)34-12-22-54(3)46(69)40(34)63)27-18-52-44(67)36-14-24-56(5)48(71)42(36)65/h11-14,21-24,63-65H,6-10,15-20,25-31,49H2,1-5H3,(H,50,62)(H,51,66)(H,52,67).
What are the key properties of N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 990.13 g/mol, XLogP of -1.24, 29 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3-aminopropanoylamino)ethyl-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[4-(3-hydroxy-1-methyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]amino]ethyl-[4-(1,3-dimethyl-2-oxo-4-pyridinyl)-4-oxobutyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 160519867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).