N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H21N5O2 — CID 51966121

IUPACN-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)Oc1cccc([C@H](C)NC(=O)c2ccnc(-n3cncn3)c2)c1
InChIInChI=1S/C19H21N5O2/c1-13(2)26-17-6-4-5-15(9-17)14(3)23-19(25)16-7-8-21-18(10-16)24-12-20-11-22-24/h4-14H,1-3H3,(H,23,25)/t14-/m0/s1
InChIKeyODRAWGZGXIWBOS-AWEZNQCLSA-N
MW351.41 g/mol
LogP2.94
Rot. Bonds6

About N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51966121) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51966121
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)Oc1cccc([C@H](C)NC(=O)c2ccnc(-n3cncn3)c2)c1
InChIInChI=1S/C19H21N5O2/c1-13(2)26-17-6-4-5-15(9-17)14(3)23-19(25)16-7-8-21-18(10-16)24-12-20-11-22-24/h4-14H,1-3H3,(H,23,25)/t14-/m0/s1
InChIKeyODRAWGZGXIWBOS-AWEZNQCLSA-N
XLogP2.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525778
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526029
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571785
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94571784
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091815
N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091733
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 17494838
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
3-amino-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide;hydrochloride
CID 119721111

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51966121) is N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CC(C)Oc1cccc([C@H](C)NC(=O)c2ccnc(-n3cncn3)c2)c1.
What is the InChIKey of N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is ODRAWGZGXIWBOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(2)26-17-6-4-5-15(9-17)14(3)23-19(25)16-7-8-21-18(10-16)24-12-20-11-22-24/h4-14H,1-3H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51966121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).