(2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide

C17H27N5O2 — CID 136988472

IUPAC(2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCN2C2CCN(C)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-12-10-16(23)20-15(19-12)11-18-17(24)14-4-3-7-22(14)13-5-8-21(2)9-6-13/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20,23)/t14-/m0/s1
InChIKeyBAUVFJZDHFSAES-AWEZNQCLSA-N
MW333.44 g/mol
LogP0.25
Rot. Bonds4

About (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide

(2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 136988472) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID136988472
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCN2C2CCN(C)CC2)n1
InChIInChI=1S/C17H27N5O2/c1-12-10-16(23)20-15(19-12)11-18-17(24)14-4-3-7-22(14)13-5-8-21(2)9-6-13/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20,23)/t14-/m0/s1
InChIKeyBAUVFJZDHFSAES-AWEZNQCLSA-N
XLogP0.25
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-N-(3-piperidin-1-ylpropyl)prolinamide
CID 3244045
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
N~1~-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-norvalinamide
CID 136664961
(2S,4R)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 137154589
N-[3-(4-ethylpiperazin-1-yl)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 126458633
2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one
CID 71212254
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 134488797
2,6-Dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one
CID 163428851
2-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723193
2-[[Methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723228
2-[[(2-Oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670897
1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-D-prolinamide
CID 91829297

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 136988472) is (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide is Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCCN2C2CCN(C)CC2)n1.
What is the InChIKey of (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is BAUVFJZDHFSAES-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-10-16(23)20-15(19-12)11-18-17(24)14-4-3-7-22(14)13-5-8-21(2)9-6-13/h10,13-14H,3-9,11H2,1-2H3,(H,18,24)(H,19,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
(2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136988472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).