N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide

C18H16N6O2 — CID 124883118

IUPACN-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ncn[nH]2)cn1)c1ccccc1
InChIInChI=1S/C18H16N6O2/c25-17(11-4-2-1-3-5-11)23-15-7-6-12(9-19-15)22-18(26)14-8-13(14)16-20-10-21-24-16/h1-7,9-10,13-14H,8H2,(H,22,26)(H,19,23,25)(H,20,21,24)/t13-,14-/m0/s1
InChIKeyBCNNJVQFFFPGFN-KBPBESRZSA-N
MW348.37 g/mol
LogP2.19
Rot. Bonds5

About N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide

N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide (PubChem CID 124883118) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide
PubChem CID124883118
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ncn[nH]2)cn1)c1ccccc1
InChIInChI=1S/C18H16N6O2/c25-17(11-4-2-1-3-5-11)23-15-7-6-12(9-19-15)22-18(26)14-8-13(14)16-20-10-21-24-16/h1-7,9-10,13-14H,8H2,(H,22,26)(H,19,23,25)(H,20,21,24)/t13-,14-/m0/s1
InChIKeyBCNNJVQFFFPGFN-KBPBESRZSA-N
XLogP2.19
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide with MolForge

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Related Compounds

2-[(6-benzamido-3-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 167935918
trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 124731840
N-(6-benzamido-3-pyridinyl)piperidine-4-carboxamide
CID 119893870
3-amino-N-(6-benzamido-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119893876
N-[5-[(3-aminocyclohexanecarbonyl)amino]-2-pyridinyl]benzamide
CID 119893878
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
trans-(1S,2S)-N-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 124856442
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]benzamide
CID 113028611
N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide
CID 119893892
N-(6-benzamido-3-pyridinyl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119893893
N-(5-propan-2-yl-2-pyridinyl)benzamide
CID 170385560
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide?
The IUPAC name of N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide (CID 124883118) is N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide is O=C(Nc1ccc(NC(=O)[C@H]2C[C@@H]2c2ncn[nH]2)cn1)c1ccccc1.
What is the InChIKey of N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide?
The InChIKey is BCNNJVQFFFPGFN-KBPBESRZSA-N. The full InChI is InChI=1S/C18H16N6O2/c25-17(11-4-2-1-3-5-11)23-15-7-6-12(9-19-15)22-18(26)14-8-13(14)16-20-10-21-24-16/h1-7,9-10,13-14H,8H2,(H,22,26)(H,19,23,25)(H,20,21,24)/t13-,14-/m0/s1.
What are the key properties of N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide?
N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide has a molecular weight of 348.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1S,2S)-2-(1H-1,2,4-triazol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 124883118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).