2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide

C23H26ClN5O3 — CID 172765123

IUPAC2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide
SMILESCn1ncnc1COc1ccc(C(=O)NCC2CCCCC2O)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H26ClN5O3/c1-29-20(26-14-27-29)13-32-21-11-10-18(22(28-21)15-6-8-17(24)9-7-15)23(31)25-12-16-4-2-3-5-19(16)30/h6-11,14,16,19,30H,2-5,12-13H2,1H3,(H,25,31)
InChIKeyMFBIUKDLEVBUTI-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.39
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide

2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide (PubChem CID 172765123) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide
PubChem CID172765123
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide
SMILESCn1ncnc1COc1ccc(C(=O)NCC2CCCCC2O)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H26ClN5O3/c1-29-20(26-14-27-29)13-32-21-11-10-18(22(28-21)15-6-8-17(24)9-7-15)23(31)25-12-16-4-2-3-5-19(16)30/h6-11,14,16,19,30H,2-5,12-13H2,1H3,(H,25,31)
InChIKeyMFBIUKDLEVBUTI-UHFFFAOYSA-N
XLogP3.39
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide (CID 172765123) is 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide is Cn1ncnc1COc1ccc(C(=O)NCC2CCCCC2O)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide?
The InChIKey is MFBIUKDLEVBUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-29-20(26-14-27-29)13-32-21-11-10-18(22(28-21)15-6-8-17(24)9-7-15)23(31)25-12-16-4-2-3-5-19(16)30/h6-11,14,16,19,30H,2-5,12-13H2,1H3,(H,25,31).
What are the key properties of 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide?
2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide has a molecular weight of 455.95 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2-hydroxycyclohexyl)methyl]-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 172765123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).