N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide

C18H18N6O — CID 51093102

IUPACN-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
SMILESCC(c1ccccn1)N(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1
InChIInChI=1S/C18H18N6O/c1-13(17-4-2-3-11-19-17)24(16-9-10-16)18(25)14-5-7-15(8-6-14)23-12-20-21-22-23/h2-8,11-13,16H,9-10H2,1H3
InChIKeyPXUVBXDEFOGRSA-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.42
Rot. Bonds5

About N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide

N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide (PubChem CID 51093102) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
PubChem CID51093102
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide
SMILESCC(c1ccccn1)N(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1
InChIInChI=1S/C18H18N6O/c1-13(17-4-2-3-11-19-17)24(16-9-10-16)18(25)14-5-7-15(8-6-14)23-12-20-21-22-23/h2-8,11-13,16H,9-10H2,1H3
InChIKeyPXUVBXDEFOGRSA-UHFFFAOYSA-N
XLogP2.42
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 94642674
N-cyclopropyl-N-[(1S)-1-pyridin-2-ylethyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 95277339
N-cyclopropyl-N-[(1R)-1-pyridin-2-ylethyl]-4-(1,3-thiazol-4-yl)benzamide
CID 97222886
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 96521620
N-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)-N-(1-pyridin-2-ylethyl)benzamide
CID 71866938
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 71937517
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71935429
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486
N-cyclopropyl-3-[(3-methylphenyl)methoxy]-N-(1-pyridin-2-ylethyl)benzamide
CID 55921071
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(tetrazol-1-yl)benzamide
CID 39976175
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
3-(3-bromophenyl)-1-cyclopropyl-1-[(1R)-1-pyridin-2-ylethyl]urea
CID 95786667

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide (CID 51093102) is N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide is CC(c1ccccn1)N(C(=O)c1ccc(-n2cnnn2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide?
The InChIKey is PXUVBXDEFOGRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-13(17-4-2-3-11-19-17)24(16-9-10-16)18(25)14-5-7-15(8-6-14)23-12-20-21-22-23/h2-8,11-13,16H,9-10H2,1H3.
What are the key properties of N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide?
N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide has a molecular weight of 334.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-pyridin-2-ylethyl)-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51093102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).