N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide

C33H45N7O12 — CID 59227360

IUPACN-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
SMILESCOCCn1ccc(=O)c(O)c1C(=O)NCCN(CCNC(=O)c1c(O)c(=O)ccn1CCOC)CCNC(=O)c1c(O)c(=O)ccn1CCOC
InChIInChI=1S/C33H45N7O12/c1-50-19-16-38-10-4-22(41)28(44)25(38)31(47)34-7-13-37(14-8-35-32(48)26-29(45)23(42)5-11-39(26)17-20-51-2)15-9-36-33(49)27-30(46)24(43)6-12-40(27)18-21-52-3/h4-6,10-12,44-46H,7-9,13-21H2,1-3H3,(H,34,47)(H,35,48)(H,36,49)
InChIKeyIVFRNROFOKXBCW-UHFFFAOYSA-N
MW731.76 g/mol
LogP-1.88
Rot. Bonds21

About N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide

N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide (PubChem CID 59227360) has the molecular formula C33H45N7O12 and a molecular weight of 731.76 g/mol. Its IUPAC name is N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
PubChem CID59227360
Molecular FormulaC33H45N7O12
Molecular Weight731.76 g/mol
Exact Mass731.31
IUPAC NameN-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide
SMILESCOCCn1ccc(=O)c(O)c1C(=O)NCCN(CCNC(=O)c1c(O)c(=O)ccn1CCOC)CCNC(=O)c1c(O)c(=O)ccn1CCOC
InChIInChI=1S/C33H45N7O12/c1-50-19-16-38-10-4-22(41)28(44)25(38)31(47)34-7-13-37(14-8-35-32(48)26-29(45)23(42)5-11-39(26)17-20-51-2)15-9-36-33(49)27-30(46)24(43)6-12-40(27)18-21-52-3/h4-6,10-12,44-46H,7-9,13-21H2,1-3H3,(H,34,47)(H,35,48)(H,36,49)
InChIKeyIVFRNROFOKXBCW-UHFFFAOYSA-N
XLogP-1.88
TPSA244.92 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500731.76
LogP ≤ 5-1.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide?
The IUPAC name of N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide (CID 59227360) is N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide.
What is the SMILES notation for N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide?
The canonical SMILES for N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide is COCCn1ccc(=O)c(O)c1C(=O)NCCN(CCNC(=O)c1c(O)c(=O)ccn1CCOC)CCNC(=O)c1c(O)c(=O)ccn1CCOC.
What is the InChIKey of N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide?
The InChIKey is IVFRNROFOKXBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45N7O12/c1-50-19-16-38-10-4-22(41)28(44)25(38)31(47)34-7-13-37(14-8-35-32(48)26-29(45)23(42)5-11-39(26)17-20-51-2)15-9-36-33(49)27-30(46)24(43)6-12-40(27)18-21-52-3/h4-6,10-12,44-46H,7-9,13-21H2,1-3H3,(H,34,47)(H,35,48)(H,36,49).
What are the key properties of N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide?
N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide has a molecular weight of 731.76 g/mol, XLogP of -1.88, 21 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[[3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carbonyl]amino]ethyl]amino]ethyl]-3-hydroxy-1-(2-methoxyethyl)-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 59227360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).