N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

C25H30N4O3 — CID 162659967

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C
InChIInChI=1S/C25H30N4O3/c1-16-19(14-17-8-10-18(11-9-17)21-12-13-28(2)27-21)15-20(25(32)29(16)3)24(31)26-22-6-4-5-7-23(22)30/h8-13,15,22-23,30H,4-7,14H2,1-3H3,(H,26,31)/t22-,23-/m0/s1
InChIKeyHMTPBAVROPHXMO-GOTSBHOMSA-N
MW434.54 g/mol
LogP2.72
Rot. Bonds5

About N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (PubChem CID 162659967) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
PubChem CID162659967
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide
SMILESCc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C
InChIInChI=1S/C25H30N4O3/c1-16-19(14-17-8-10-18(11-9-17)21-12-13-28(2)27-21)15-20(25(32)29(16)3)24(31)26-22-6-4-5-7-23(22)30/h8-13,15,22-23,30H,4-7,14H2,1-3H3,(H,26,31)/t22-,23-/m0/s1
InChIKeyHMTPBAVROPHXMO-GOTSBHOMSA-N
XLogP2.72
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.72
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]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide (CID 162659967) is N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is Cc1c(Cc2ccc(-c3ccn(C)n3)cc2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is HMTPBAVROPHXMO-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16-19(14-17-8-10-18(11-9-17)21-12-13-28(2)27-21)15-20(25(32)29(16)3)24(31)26-22-6-4-5-7-23(22)30/h8-13,15,22-23,30H,4-7,14H2,1-3H3,(H,26,31)/t22-,23-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.72, 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]-1,6-dimethyl-5-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 162659967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).