2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide

C20H24N4O3 — CID 119071378

IUPAC2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1-c1ccc(C(=O)N(C)CCC(N)=O)cc1
InChIInChI=1S/C20H24N4O3/c1-3-11-23-19(26)16-5-4-12-22-18(16)14-6-8-15(9-7-14)20(27)24(2)13-10-17(21)25/h4-9,12H,3,10-11,13H2,1-2H3,(H2,21,25)(H,23,26)
InChIKeyCWRRXWHDHSOPCK-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.84
Rot. Bonds8

About 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide

2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide (PubChem CID 119071378) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide
PubChem CID119071378
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cccnc1-c1ccc(C(=O)N(C)CCC(N)=O)cc1
InChIInChI=1S/C20H24N4O3/c1-3-11-23-19(26)16-5-4-12-22-18(16)14-6-8-15(9-7-14)20(27)24(2)13-10-17(21)25/h4-9,12H,3,10-11,13H2,1-2H3,(H2,21,25)(H,23,26)
InChIKeyCWRRXWHDHSOPCK-UHFFFAOYSA-N
XLogP1.84
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
N-(2-methylsulfanylethyl)-2-[3-(2-methylsulfanylethylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 58451928
4-(3-chloro-2-pyridinyl)-N-ethylbenzamide
CID 59673494
N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 62186071
3-[2-[(2-pyridin-4-ylpyridine-3-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166425025
N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide
CID 143839952
2-chloro-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 55090733
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272
N-propylpyridazine-3-carboxamide
CID 89418818

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide (CID 119071378) is 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cccnc1-c1ccc(C(=O)N(C)CCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide?
The InChIKey is CWRRXWHDHSOPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-11-23-19(26)16-5-4-12-22-18(16)14-6-8-15(9-7-14)20(27)24(2)13-10-17(21)25/h4-9,12H,3,10-11,13H2,1-2H3,(H2,21,25)(H,23,26).
What are the key properties of 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide?
2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-amino-3-oxopropyl)-methylcarbamoyl]phenyl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 119071378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).