N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide

C22H32N6O4 — CID 59067457

IUPACN-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
SMILESCc1c(C(=O)NCCN(CCN)CCNC(=O)c2ccn(C)c(=O)c2C)ccn(C)c1=O
InChIInChI=1S/C22H32N6O4/c1-15-17(5-10-26(3)21(15)31)19(29)24-8-13-28(12-7-23)14-9-25-20(30)18-6-11-27(4)22(32)16(18)2/h5-6,10-11H,7-9,12-14,23H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyYOSPVFDNVFPOFS-UHFFFAOYSA-N
MW444.54 g/mol
LogP-0.88
Rot. Bonds10

About N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide

N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide (PubChem CID 59067457) has the molecular formula C22H32N6O4 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
PubChem CID59067457
Molecular FormulaC22H32N6O4
Molecular Weight444.54 g/mol
Exact Mass444.25
IUPAC NameN-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide
SMILESCc1c(C(=O)NCCN(CCN)CCNC(=O)c2ccn(C)c(=O)c2C)ccn(C)c1=O
InChIInChI=1S/C22H32N6O4/c1-15-17(5-10-26(3)21(15)31)19(29)24-8-13-28(12-7-23)14-9-25-20(30)18-6-11-27(4)22(32)16(18)2/h5-6,10-11H,7-9,12-14,23H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyYOSPVFDNVFPOFS-UHFFFAOYSA-N
XLogP-0.88
TPSA131.46 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-aminoethylcarbamoyl)-6-[2-[bis[2-[(1-methyl-3-oxido-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethylcarbamoyl]benzene-1,2-diolate
CID 102186161
1-N-[2-[bis(2-aminoethyl)amino]ethyl]-2,3-dihydroxy-4-N,4-N-bis[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethylamino]ethyl]benzene-1,4-dicarboxamide
CID 101422518
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
N-[2-[3-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]propyl-[2-[(3-hydroxy-1-methyl-2H-pyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
CID 130309341
3-[2-[3-[2-[bis[2-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]amino]ethylamino]-3-oxopropoxy]ethoxy]propanoic acid
CID 121426828
3-hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 69382109
N-[2-[bis(2-aminoethyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 59001680
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CID 70891250
6-[bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]-5-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
CID 69382105
3-hydroxy-1-methyl-2-oxo-N-(3-trimethoxysilylpropyl)pyridine-4-carboxamide
CID 102217181
3-N-[2-[2-aminoethyl-[2-[2-[[2-hydroxy-3-[2-(methylamino)ethylcarbamoyl]benzoyl]amino]ethyl-[2-[[2-hydroxy-3-(propylcarbamoyl)benzoyl]amino]ethyl]amino]ethyl]amino]ethyl]-2-hydroxy-1-N-propylbenzene-1,3-dicarboxamide
CID 139504582
3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]propyl]amino]-2-methylpropyl]amino]propyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 121426808

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide (CID 59067457) is N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide is Cc1c(C(=O)NCCN(CCN)CCNC(=O)c2ccn(C)c(=O)c2C)ccn(C)c1=O.
What is the InChIKey of N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide?
The InChIKey is YOSPVFDNVFPOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4/c1-15-17(5-10-26(3)21(15)31)19(29)24-8-13-28(12-7-23)14-9-25-20(30)18-6-11-27(4)22(32)16(18)2/h5-6,10-11H,7-9,12-14,23H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide?
N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide has a molecular weight of 444.54 g/mol, XLogP of -0.88, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-aminoethyl-[2-[(1,3-dimethyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-1,3-dimethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 59067457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).