4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide

C21H22N4O — CID 166362554

IUPAC4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide
SMILESNCc1cccc(-c2ccc(C(=O)Nc3cnn4c3CCCC4)cc2)c1
InChIInChI=1S/C21H22N4O/c22-13-15-4-3-5-18(12-15)16-7-9-17(10-8-16)21(26)24-19-14-23-25-11-2-1-6-20(19)25/h3-5,7-10,12,14H,1-2,6,11,13,22H2,(H,24,26)
InChIKeyJONMGEPDXADANU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.60
Rot. Bonds4

About 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide

4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide (PubChem CID 166362554) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide
PubChem CID166362554
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide
SMILESNCc1cccc(-c2ccc(C(=O)Nc3cnn4c3CCCC4)cc2)c1
InChIInChI=1S/C21H22N4O/c22-13-15-4-3-5-18(12-15)16-7-9-17(10-8-16)21(26)24-19-14-23-25-11-2-1-6-20(19)25/h3-5,7-10,12,14H,1-2,6,11,13,22H2,(H,24,26)
InChIKeyJONMGEPDXADANU-UHFFFAOYSA-N
XLogP3.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(aminomethyl)phenyl]-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 166392215
N-[3-[3-(aminomethyl)phenyl]phenyl]-4-chlorobenzamide
CID 11396784
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
cis-(1R,3S)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 138056033
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 70583070
N-(2-hydroxy-5-phenylphenyl)-4-[(3-pyrrolidin-1-ylpropylamino)methyl]benzamide
CID 25159050
N-[2-oxo-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethylamino)ethyl]benzamide
CID 91629615
1-benzyl-N-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71680467
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
[4-[3-(aminomethyl)phenyl]phenyl]-[4-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 166360696

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide?
The IUPAC name of 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide (CID 166362554) is 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide?
The canonical SMILES for 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide is NCc1cccc(-c2ccc(C(=O)Nc3cnn4c3CCCC4)cc2)c1.
What is the InChIKey of 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide?
The InChIKey is JONMGEPDXADANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-13-15-4-3-5-18(12-15)16-7-9-17(10-8-16)21(26)24-19-14-23-25-11-2-1-6-20(19)25/h3-5,7-10,12,14H,1-2,6,11,13,22H2,(H,24,26).
What are the key properties of 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide?
4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide has a molecular weight of 346.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenyl]-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 166362554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).