N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide

C15H16ClN3O — CID 66482036

IUPACN-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
SMILESNCCc1ccc(CNC(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C15H16ClN3O/c16-14-10-18-8-6-13(14)15(20)19-9-12-3-1-11(2-4-12)5-7-17/h1-4,6,8,10H,5,7,9,17H2,(H,19,20)
InChIKeyACJKYJBPWWNFSH-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.17
Rot. Bonds5

About N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide

N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide (PubChem CID 66482036) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
PubChem CID66482036
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide
SMILESNCCc1ccc(CNC(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C15H16ClN3O/c16-14-10-18-8-6-13(14)15(20)19-9-12-3-1-11(2-4-12)5-7-17/h1-4,6,8,10H,5,7,9,17H2,(H,19,20)
InChIKeyACJKYJBPWWNFSH-UHFFFAOYSA-N
XLogP2.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66462440
N-[[4-(2-aminoethyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 62502829
N-[(4-carbamothioylphenyl)methyl]-3-chloropyridine-4-carboxamide
CID 66462420
N-[[4-(2-aminoethyl)phenyl]methyl]-2-chlorobenzamide
CID 62502652
3-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 66482974
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66484344
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
CID 105062327
3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
N-(2-bromoethyl)-3-chloropyridine-4-carboxamide
CID 66482611
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide?
The IUPAC name of N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide (CID 66482036) is N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide?
The canonical SMILES for N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide is NCCc1ccc(CNC(=O)c2ccncc2Cl)cc1.
What is the InChIKey of N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide?
The InChIKey is ACJKYJBPWWNFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-10-18-8-6-13(14)15(20)19-9-12-3-1-11(2-4-12)5-7-17/h1-4,6,8,10H,5,7,9,17H2,(H,19,20).
What are the key properties of N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide?
N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoethyl)phenyl]methyl]-3-chloropyridine-4-carboxamide is sourced from PubChem (CID 66482036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).