N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

C19H21N3O — CID 165118625

IUPACN-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESNCc1ccc(NC(=O)c2ccc(C3=CCNCC3)cc2)cc1
InChIInChI=1S/C19H21N3O/c20-13-14-1-7-18(8-2-14)22-19(23)17-5-3-15(4-6-17)16-9-11-21-12-10-16/h1-9,21H,10-13,20H2,(H,22,23)
InChIKeyWWCSLJVUZPTCQQ-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.77
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (PubChem CID 165118625) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
PubChem CID165118625
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESNCc1ccc(NC(=O)c2ccc(C3=CCNCC3)cc2)cc1
InChIInChI=1S/C19H21N3O/c20-13-14-1-7-18(8-2-14)22-19(23)17-5-3-15(4-6-17)16-9-11-21-12-10-16/h1-9,21H,10-13,20H2,(H,22,23)
InChIKeyWWCSLJVUZPTCQQ-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[4-(aminomethyl)phenyl]-4-N-[4-(2,5-dihydro-1H-pyrrol-3-yl)phenyl]benzene-1,4-dicarboxamide
CID 166477004
N-[4-(aminomethyl)phenyl]-3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118667
N-[4-(2-aminoethyl)phenyl]-4-(2,5-dihydro-1H-pyrrol-3-yl)benzamide
CID 165118789
N-[4-(aminomethyl)phenyl]-5-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-2-carboxamide
CID 165118663
4-[4-(aminomethyl)phenyl]-N-phenylbenzamide
CID 91665672
4-(aminomethyl)-N-(4-aminophenyl)benzamide
CID 90103909
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-(aminomethyl)-N-(4-ethenylphenyl)benzamide
CID 166434633
N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118090
3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide
CID 165119073
4-(aminomethyl)-N-(4-nitrophenyl)benzamide
CID 43426870
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (CID 165118625) is N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is NCc1ccc(NC(=O)c2ccc(C3=CCNCC3)cc2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The InChIKey is WWCSLJVUZPTCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c20-13-14-1-7-18(8-2-14)22-19(23)17-5-3-15(4-6-17)16-9-11-21-12-10-16/h1-9,21H,10-13,20H2,(H,22,23).
What are the key properties of N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide has a molecular weight of 307.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is sourced from PubChem (CID 165118625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).