(3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide

C16H24ClN5O — CID 58504658

IUPAC(3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide
SMILESNc1nc(Cl)cc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C16H24ClN5O/c17-13-9-14(21-16(18)20-13)22-8-4-5-11(10-22)15(23)19-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,19,23)(H2,18,20,21)/t11-/m0/s1
InChIKeyQCUJGLNWZFJZFF-NSHDSACASA-N
MW337.86 g/mol
LogP2.38
Rot. Bonds3

About (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide

(3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 58504658) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide
PubChem CID58504658
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name(3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide
SMILESNc1nc(Cl)cc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)n1
InChIInChI=1S/C16H24ClN5O/c17-13-9-14(21-16(18)20-13)22-8-4-5-11(10-22)15(23)19-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,19,23)(H2,18,20,21)/t11-/m0/s1
InChIKeyQCUJGLNWZFJZFF-NSHDSACASA-N
XLogP2.38
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-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-chloro-4-pyrimidinyl)-4-piperidinecarboxamide
CID 1484522
1-(2-amino-6-chloropyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 34060469
N-Isopropyl-3-{1-[6-(propylamino)-4-pyrimidinyl]-3-piperidyl}propanamide
CID 53174246
N-cyclohexyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl}propanamide
CID 53174313
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propan-2-ylpropanamide
CID 53174353
N-cyclohexyl-3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 53174423
3-{1-[6-(Ethylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(propan-2-YL)propanamide
CID 53188505
N-cyclohexyl-3-{1-[6-(ethylamino)-4-pyrimidinyl]-4-piperidyl}propanamide
CID 53188560
N-(Propan-2-YL)-3-{1-[6-(propylamino)pyrimidin-4-YL]piperidin-4-YL}propanamide
CID 53188583
N-cyclohexyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188597
N-(Pentan-3-YL)-3-{1-[6-(propylamino)pyrimidin-4-YL]piperidin-4-YL}propanamide
CID 53188728
3-{1-[6-(Ethylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(pentan-3-YL)propanamide
CID 53188772

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide (CID 58504658) is (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide is Nc1nc(Cl)cc(N2CCC[C@H](C(=O)NC3CCCCC3)C2)n1.
What is the InChIKey of (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is QCUJGLNWZFJZFF-NSHDSACASA-N. The full InChI is InChI=1S/C16H24ClN5O/c17-13-9-14(21-16(18)20-13)22-8-4-5-11(10-22)15(23)19-12-6-2-1-3-7-12/h9,11-12H,1-8,10H2,(H,19,23)(H2,18,20,21)/t11-/m0/s1.
What are the key properties of (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide?
(3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 337.86 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-amino-6-chloropyrimidin-4-yl)-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 58504658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).