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

C18H29N5O2 — CID 136967949

IUPAC(2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCCN2C2CCN(C)CC2)n1
InChIInChI=1S/C18H29N5O2/c1-13-12-17(24)21-16(20-13)5-8-19-18(25)15-4-3-9-23(15)14-6-10-22(2)11-7-14/h12,14-15H,3-11H2,1-2H3,(H,19,25)(H,20,21,24)/t15-/m0/s1
InChIKeyQEERONPBAZLJGY-HNNXBMFYSA-N
MW347.46 g/mol
LogP0.30
Rot. Bonds5

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

(2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 136967949) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID136967949
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCCN2C2CCN(C)CC2)n1
InChIInChI=1S/C18H29N5O2/c1-13-12-17(24)21-16(20-13)5-8-19-18(25)15-4-3-9-23(15)14-6-10-22(2)11-7-14/h12,14-15H,3-11H2,1-2H3,(H,19,25)(H,20,21,24)/t15-/m0/s1
InChIKeyQEERONPBAZLJGY-HNNXBMFYSA-N
XLogP0.30
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

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
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
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
N-[(6-amino-2-oxo-1H-pyridin-3-yl)methyl]-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655111
1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-D-prolinamide
CID 91829297
N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120024775
N-[[1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120024776
N-[[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120024994
N-[[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 120024995
N-(2-(4-methyl-6-oxopyrimidin-1(6H)-yl)ethyl)-5-oxopyrrolidine-2-carboxamide
CID 121119275

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide (CID 136967949) is (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)[C@@H]2CCCN2C2CCN(C)CC2)n1.
What is the InChIKey of (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is QEERONPBAZLJGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13-12-17(24)21-16(20-13)5-8-19-18(25)15-4-3-9-23(15)14-6-10-22(2)11-7-14/h12,14-15H,3-11H2,1-2H3,(H,19,25)(H,20,21,24)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide?
(2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136967949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).