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

C23H17N5O — CID 118856223

IUPACN-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1cccc2ccccc12)n1nnc2ccccc21)c1cccnc1
InChIInChI=1S/C23H17N5O/c29-23(17-9-6-14-24-15-17)25-22(28-21-13-4-3-12-20(21)26-27-28)19-11-5-8-16-7-1-2-10-18(16)19/h1-15,22H,(H,25,29)
InChIKeyBIDMTCCANZCVQG-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.96
Rot. Bonds4

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

N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide (PubChem CID 118856223) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide
PubChem CID118856223
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC NameN-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NC(c1cccc2ccccc12)n1nnc2ccccc21)c1cccnc1
InChIInChI=1S/C23H17N5O/c29-23(17-9-6-14-24-15-17)25-22(28-21-13-4-3-12-20(21)26-27-28)19-11-5-8-16-7-1-2-10-18(16)19/h1-15,22H,(H,25,29)
InChIKeyBIDMTCCANZCVQG-UHFFFAOYSA-N
XLogP3.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-benzotriazol-1-yl(phenyl)methyl]pyridine-3-carboxamide
CID 688290
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
N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[1,2-bis(benzotriazol-1-yl)-2-[(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 10530945
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-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963799
N-[2-(2-hydroxyethoxy)-2-naphthalen-1-ylethyl]pyridine-3-carboxamide
CID 67663071
N-[1-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963822
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
CID 16964057

Frequently Asked Questions

What is the IUPAC name of N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide (CID 118856223) is N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide is O=C(NC(c1cccc2ccccc12)n1nnc2ccccc21)c1cccnc1.
What is the InChIKey of N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide?
The InChIKey is BIDMTCCANZCVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c29-23(17-9-6-14-24-15-17)25-22(28-21-13-4-3-12-20(21)26-27-28)19-11-5-8-16-7-1-2-10-18(16)19/h1-15,22H,(H,25,29).
What are the key properties of N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide?
N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzotriazol-1-yl(naphthalen-1-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118856223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).