(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide

C13H21N5O2 — CID 136829826

IUPAC(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C13H21N5O2/c1-18-6-2-3-9(8-18)13(20)15-5-4-11-16-10(14)7-12(19)17-11/h7,9H,2-6,8H2,1H3,(H,15,20)(H3,14,16,17,19)/t9-/m0/s1
InChIKeyXRLBQCPUIQUJMY-VIFPVBQESA-N
MW279.34 g/mol
LogP-0.65
Rot. Bonds4

About (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide

(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide (PubChem CID 136829826) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
PubChem CID136829826
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide
SMILESCN1CCC[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1
InChIInChI=1S/C13H21N5O2/c1-18-6-2-3-9(8-18)13(20)15-5-4-11-16-10(14)7-12(19)17-11/h7,9H,2-6,8H2,1H3,(H,15,20)(H3,14,16,17,19)/t9-/m0/s1
InChIKeyXRLBQCPUIQUJMY-VIFPVBQESA-N
XLogP-0.65
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72874444
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
N-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)piperidine-3-carboxamide
CID 177802488
1'-methyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-1,4'-bipiperidine-3-carboxamide
CID 136147228
4-hydroxy-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 154942917
2-(1-acetylpiperidin-3-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 154942949
2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339735
N,2-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339736
N-[3-(dimethylamino)propyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339737
N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72920934

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide (CID 136829826) is (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide is CN1CCC[C@H](C(=O)NCCc2nc(N)cc(=O)[nH]2)C1.
What is the InChIKey of (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is XRLBQCPUIQUJMY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H21N5O2/c1-18-6-2-3-9(8-18)13(20)15-5-4-11-16-10(14)7-12(19)17-11/h7,9H,2-6,8H2,1H3,(H,15,20)(H3,14,16,17,19)/t9-/m0/s1.
What are the key properties of (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide?
(3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 136829826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).