N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

C22H25N5O2 — CID 129017508

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)nc1
InChIInChI=1S/C22H25N5O2/c1-15-13-23-19(22(29)26-18-5-2-3-6-20(18)28)12-17(15)11-16-7-8-21(24-14-16)27-10-4-9-25-27/h4,7-10,12-14,18,20,28H,2-3,5-6,11H2,1H3,(H,26,29)/t18-,20-/m0/s1
InChIKeyZALKVEYXYBDRSM-ICSRJNTNSA-N
MW391.48 g/mol
LogP2.59
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 129017508) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID129017508
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)nc1
InChIInChI=1S/C22H25N5O2/c1-15-13-23-19(22(29)26-18-5-2-3-6-20(18)28)12-17(15)11-16-7-8-21(24-14-16)27-10-4-9-25-27/h4,7-10,12-14,18,20,28H,2-3,5-6,11H2,1H3,(H,26,29)/t18-,20-/m0/s1
InChIKeyZALKVEYXYBDRSM-ICSRJNTNSA-N
XLogP2.59
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 129017508) is N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is ZALKVEYXYBDRSM-ICSRJNTNSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-13-23-19(22(29)26-18-5-2-3-6-20(18)28)12-17(15)11-16-7-8-21(24-14-16)27-10-4-9-25-27/h4,7-10,12-14,18,20,28H,2-3,5-6,11H2,1H3,(H,26,29)/t18-,20-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129017508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).