4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

C20H24N6O2 — CID 131921234

IUPAC4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESNc1nccc(C2CCN(C(=O)C3CC(=O)N(Cc4ccncc4)C3)CC2)n1
InChIInChI=1S/C20H24N6O2/c21-20-23-8-3-17(24-20)15-4-9-25(10-5-15)19(28)16-11-18(27)26(13-16)12-14-1-6-22-7-2-14/h1-3,6-8,15-16H,4-5,9-13H2,(H2,21,23,24)
InChIKeyNTTUHQPTJRZUHT-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.21
Rot. Bonds4

About 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one

4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 131921234) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
PubChem CID131921234
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
SMILESNc1nccc(C2CCN(C(=O)C3CC(=O)N(Cc4ccncc4)C3)CC2)n1
InChIInChI=1S/C20H24N6O2/c21-20-23-8-3-17(24-20)15-4-9-25(10-5-15)19(28)16-11-18(27)26(13-16)12-14-1-6-22-7-2-14/h1-3,6-8,15-16H,4-5,9-13H2,(H2,21,23,24)
InChIKeyNTTUHQPTJRZUHT-UHFFFAOYSA-N
XLogP1.21
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-1-(pyridin-4-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97281518
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 74233567
(4R)-4-[4-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 51593241
(4S)-4-(4-phenyl-1,4-diazepane-1-carbonyl)-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 97196301
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 113184102
4-(4-phenylpiperidine-1-carbonyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 143724939
(4R)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 52735985
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557384
1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119564011

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one (CID 131921234) is 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is Nc1nccc(C2CCN(C(=O)C3CC(=O)N(Cc4ccncc4)C3)CC2)n1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is NTTUHQPTJRZUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c21-20-23-8-3-17(24-20)15-4-9-25(10-5-15)19(28)16-11-18(27)26(13-16)12-14-1-6-22-7-2-14/h1-3,6-8,15-16H,4-5,9-13H2,(H2,21,23,24).
What are the key properties of 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one?
4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 380.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-4-yl)piperidine-1-carbonyl]-1-(pyridin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 131921234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).