N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide

C21H26N4O3 — CID 87050516

IUPACN-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCN1CCCC1
InChIInChI=1S/C21H26N4O3/c1-16-9-10-18(23-20(27)17-7-3-2-4-8-17)21(28)25(16)15-19(26)22-11-14-24-12-5-6-13-24/h2-4,7-10H,5-6,11-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyKVCSBQSWWRZCEE-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.62
Rot. Bonds7

About N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide

N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide (PubChem CID 87050516) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide
PubChem CID87050516
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCN1CCCC1
InChIInChI=1S/C21H26N4O3/c1-16-9-10-18(23-20(27)17-7-3-2-4-8-17)21(28)25(16)15-19(26)22-11-14-24-12-5-6-13-24/h2-4,7-10H,5-6,11-15H2,1H3,(H,22,26)(H,23,27)
InChIKeyKVCSBQSWWRZCEE-UHFFFAOYSA-N
XLogP1.62
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-methyl-1-[2-(3-methylbutylamino)-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
CID 87050500
N-[1-[2-(azepan-1-yl)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]benzamide
CID 87050503
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
4-methyl-N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]benzamide
CID 87050548
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42859076
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
3-methyl-4-(2-pyrrolidin-1-ylethylcarbamoylamino)benzoic acid
CID 62635338
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
3-benzamido-4-methyl-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447939
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 46357370

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide (CID 87050516) is N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCN1CCCC1.
What is the InChIKey of N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide?
The InChIKey is KVCSBQSWWRZCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-16-9-10-18(23-20(27)17-7-3-2-4-8-17)21(28)25(16)15-19(26)22-11-14-24-12-5-6-13-24/h2-4,7-10H,5-6,11-15H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide?
N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide has a molecular weight of 382.46 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-2-oxo-1-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 87050516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).