N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide

C21H19N5O — CID 26789621

IUPACN-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
SMILESO=C(N[C@H](CCc1ccccc1)n1nnc2ccccc21)c1ccncc1
InChIInChI=1S/C21H19N5O/c27-21(17-12-14-22-15-13-17)23-20(11-10-16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-9,12-15,20H,10-11H2,(H,23,27)/t20-/m0/s1
InChIKeyCLXWTQIVCFXBOY-FQEVSTJZSA-N
MW357.42 g/mol
LogP3.39
Rot. Bonds6

About N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide

N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide (PubChem CID 26789621) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
PubChem CID26789621
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
SMILESO=C(N[C@H](CCc1ccccc1)n1nnc2ccccc21)c1ccncc1
InChIInChI=1S/C21H19N5O/c27-21(17-12-14-22-15-13-17)23-20(11-10-16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-9,12-15,20H,10-11H2,(H,23,27)/t20-/m0/s1
InChIKeyCLXWTQIVCFXBOY-FQEVSTJZSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
N-[1,3-bis(benzotriazol-1-yl)propyl]benzamide
CID 4564870
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-[1-(benzotriazol-1-yl)-2-phenylethyl]-4-methoxybenzamide
CID 3405892
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
CID 688290
ethyl (2R)-2-benzamido-2-(benzotriazol-1-yl)acetate
CID 40525614
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
CID 110204364
1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
CID 3540925
N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 10530945
(3S)-3-(benzotriazol-1-yl)-1-phenylbutan-1-one
CID 139190791

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide (CID 26789621) is N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide is O=C(N[C@H](CCc1ccccc1)n1nnc2ccccc21)c1ccncc1.
What is the InChIKey of N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide?
The InChIKey is CLXWTQIVCFXBOY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H19N5O/c27-21(17-12-14-22-15-13-17)23-20(11-10-16-6-2-1-3-7-16)26-19-9-5-4-8-18(19)24-25-26/h1-9,12-15,20H,10-11H2,(H,23,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide?
N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide is sourced from PubChem (CID 26789621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).