N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C23H21N5O2 — CID 60526029

IUPACN-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2ccnc(-n3cncn3)c2)c2ccccc2)cc1
InChIInChI=1S/C23H21N5O2/c1-2-30-20-10-8-18(9-11-20)22(17-6-4-3-5-7-17)27-23(29)19-12-13-25-21(14-19)28-16-24-15-26-28/h3-16,22H,2H2,1H3,(H,27,29)
InChIKeyAMSPNGXQOAPGSK-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.58
Rot. Bonds7

About N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 60526029) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID60526029
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2ccnc(-n3cncn3)c2)c2ccccc2)cc1
InChIInChI=1S/C23H21N5O2/c1-2-30-20-10-8-18(9-11-20)22(17-6-4-3-5-7-17)27-23(29)19-12-13-25-21(14-19)28-16-24-15-26-28/h3-16,22H,2H2,1H3,(H,27,29)
InChIKeyAMSPNGXQOAPGSK-UHFFFAOYSA-N
XLogP3.58
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091733
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525778
N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51966121
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 109388013
N-(1-aminohexan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119665156
N-(2-phenoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525572
4-cyano-N-[(4-ethoxyphenyl)-phenylmethyl]benzamide
CID 55659561
N-[(2R)-2-(ethylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 120650100
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94818182

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 60526029) is N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CCOc1ccc(C(NC(=O)c2ccnc(-n3cncn3)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is AMSPNGXQOAPGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-2-30-20-10-8-18(9-11-20)22(17-6-4-3-5-7-17)27-23(29)19-12-13-25-21(14-19)28-16-24-15-26-28/h3-16,22H,2H2,1H3,(H,27,29).
What are the key properties of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60526029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).