4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide

C16H17N3O — CID 11149812

IUPAC4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
SMILESNC(c1ccc(C(=O)Nc2ccncc2)cc1)C1CC1
InChIInChI=1S/C16H17N3O/c17-15(11-1-2-11)12-3-5-13(6-4-12)16(20)19-14-7-9-18-10-8-14/h3-11,15H,1-2,17H2,(H,18,19,20)
InChIKeyJVCWOPYGYHEHQZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.74
Rot. Bonds4

About 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide

4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide (PubChem CID 11149812) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
PubChem CID11149812
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
SMILESNC(c1ccc(C(=O)Nc2ccncc2)cc1)C1CC1
InChIInChI=1S/C16H17N3O/c17-15(11-1-2-11)12-3-5-13(6-4-12)16(20)19-14-7-9-18-10-8-14/h3-11,15H,1-2,17H2,(H,18,19,20)
InChIKeyJVCWOPYGYHEHQZ-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide 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

4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538066
4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide
CID 69455036
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379
4-[amino-[1-(2-cyclohexyl-2-phenylacetyl)pyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 67537013
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-N-pyridin-4-ylbenzamide
CID 15982627
4-(1,4-diamino-1-oxobutan-2-yl)-N-pyridin-4-ylbenzamide
CID 174561502
4-[amino-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-N-pyridin-4-ylbenzamide
CID 59419418
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252

Frequently Asked Questions

What is the IUPAC name of 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide (CID 11149812) is 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide is NC(c1ccc(C(=O)Nc2ccncc2)cc1)C1CC1.
What is the InChIKey of 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide?
The InChIKey is JVCWOPYGYHEHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-15(11-1-2-11)12-3-5-13(6-4-12)16(20)19-14-7-9-18-10-8-14/h3-11,15H,1-2,17H2,(H,18,19,20).
What are the key properties of 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide?
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide has a molecular weight of 267.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 11149812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).