N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C23H26N4O2 — CID 118663151

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-15-24-21(23(29)26-20-5-2-3-6-22(20)28)14-18(16)13-17-7-9-19(10-8-17)27-12-4-11-25-27/h4,7-12,14-15,20,22,28H,2-3,5-6,13H2,1H3,(H,26,29)/t20-,22-/m0/s1
InChIKeyMOTCFWLAEIRGKL-UNMCSNQZSA-N
MW390.49 g/mol
LogP3.20
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 118663151) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID118663151
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-15-24-21(23(29)26-20-5-2-3-6-22(20)28)14-18(16)13-17-7-9-19(10-8-17)27-12-4-11-25-27/h4,7-12,14-15,20,22,28H,2-3,5-6,13H2,1H3,(H,26,29)/t20-,22-/m0/s1
InChIKeyMOTCFWLAEIRGKL-UNMCSNQZSA-N
XLogP3.20
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 118663151) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is MOTCFWLAEIRGKL-UNMCSNQZSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-15-24-21(23(29)26-20-5-2-3-6-22(20)28)14-18(16)13-17-7-9-19(10-8-17)27-12-4-11-25-27/h4,7-12,14-15,20,22,28H,2-3,5-6,13H2,1H3,(H,26,29)/t20-,22-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118663151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).