(3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide

C17H20ClN5O — CID 58504476

IUPAC(3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(=O)Nc2ccccc2)CN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C17H20ClN5O/c1-11-7-8-12(16(24)20-13-5-3-2-4-6-13)10-23(11)15-9-14(18)21-17(19)22-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,24)(H2,19,21,22)/t11-,12+/m1/s1
InChIKeyUKLLXZJTUIFWJP-NEPJUHHUSA-N
MW345.83 g/mol
LogP2.96
Rot. Bonds3

About (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide

(3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide (PubChem CID 58504476) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide
PubChem CID58504476
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name(3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C(=O)Nc2ccccc2)CN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C17H20ClN5O/c1-11-7-8-12(16(24)20-13-5-3-2-4-6-13)10-23(11)15-9-14(18)21-17(19)22-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,24)(H2,19,21,22)/t11-,12+/m1/s1
InChIKeyUKLLXZJTUIFWJP-NEPJUHHUSA-N
XLogP2.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-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

1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide
CID 76806824
1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
CID 90789888
(3R,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide
CID 51357696
(3S,6R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 58504810
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
N-tert-butyl-N-[6-[2-(methylamino)-6-[(2R,5S)-2-methyl-5-(phenylcarbamoyl)piperidin-1-yl]pyrimidin-4-yl]-1H-indazol-3-yl]carbamate
CID 86659179
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
(3R)-1-(2-amino-6-chloropyrimidin-4-yl)piperidine-3-carboxylic acid
CID 94830339
(3R)-1-(4-chlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 785744
1-[2-amino-6-(4-cyano-3-fluorophenyl)pyrimidin-4-yl]-6-methylpiperidine-3-carboxylic acid
CID 75631175
(3S,6S)-N-benzyl-1-[6-chloro-2-(methylamino)pyrimidin-4-yl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 86659195
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide (CID 58504476) is (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide is C[C@@H]1CC[C@H](C(=O)Nc2ccccc2)CN1c1cc(Cl)nc(N)n1.
What is the InChIKey of (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide?
The InChIKey is UKLLXZJTUIFWJP-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-11-7-8-12(16(24)20-13-5-3-2-4-6-13)10-23(11)15-9-14(18)21-17(19)22-15/h2-6,9,11-12H,7-8,10H2,1H3,(H,20,24)(H2,19,21,22)/t11-,12+/m1/s1.
What are the key properties of (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide?
(3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(2-amino-6-chloropyrimidin-4-yl)-6-methyl-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 58504476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).