N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide

C19H15N5O — CID 688290

IUPACN-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1
InChIInChI=1S/C19H15N5O/c25-19(15-9-6-12-20-13-15)21-18(14-7-2-1-3-8-14)24-17-11-5-4-10-16(17)22-23-24/h1-13,18H,(H,21,25)/t18-/m0/s1
InChIKeyBABUDAQOHSIBJR-SFHVURJKSA-N
MW329.36 g/mol
LogP2.80
Rot. Bonds4

About N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide

N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide (PubChem CID 688290) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
PubChem CID688290
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1
InChIInChI=1S/C19H15N5O/c25-19(15-9-6-12-20-13-15)21-18(14-7-2-1-3-8-14)24-17-11-5-4-10-16(17)22-23-24/h1-13,18H,(H,21,25)/t18-/m0/s1
InChIKeyBABUDAQOHSIBJR-SFHVURJKSA-N
XLogP2.80
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide
CID 118856223
N-[(R)-benzotriazol-1-yl(phenyl)methyl]acetamide
CID 785376
N-[2-benzamido-1,2-bis(benzotriazol-1-yl)ethyl]benzamide
CID 3504481
N-[1-(benzotriazol-1-yl)ethyl]benzamide
CID 5121940
N-[1-(benzotriazol-1-yl)propyl]benzamide
CID 3733737
3-(1-pyridin-3-ylethyl)benzotriazole-5-carboxylic acid
CID 82783788
N-[(4-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 51151137
N-[1,3-bis(benzotriazol-1-yl)propyl]benzamide
CID 4564870
N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
CID 26789621
N-[benzotriazol-1-yl-(3-methylphenyl)methyl]acetamide
CID 3174355
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720

Frequently Asked Questions

What is the IUPAC name of N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide (CID 688290) is N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide is O=C(N[C@H](c1ccccc1)n1nnc2ccccc21)c1cccnc1.
What is the InChIKey of N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide?
The InChIKey is BABUDAQOHSIBJR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(15-9-6-12-20-13-15)21-18(14-7-2-1-3-8-14)24-17-11-5-4-10-16(17)22-23-24/h1-13,18H,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide?
N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 688290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).