2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide

C15H15Cl2N3O — CID 114326268

IUPAC2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(CN)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-9(10-2-3-13(16)14(17)7-10)20-15(21)11-4-5-19-12(6-11)8-18/h2-7,9H,8,18H2,1H3,(H,20,21)
InChIKeyILXXWVDJPKQPBU-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.34
Rot. Bonds4

About 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide (PubChem CID 114326268) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
PubChem CID114326268
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(CN)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H15Cl2N3O/c1-9(10-2-3-13(16)14(17)7-10)20-15(21)11-4-5-19-12(6-11)8-18/h2-7,9H,8,18H2,1H3,(H,20,21)
InChIKeyILXXWVDJPKQPBU-UHFFFAOYSA-N
XLogP3.34
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 114326595
2-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326876
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]benzamide
CID 793526
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
2-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 114326314
2-(aminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-4-carboxamide
CID 114326404
2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
CID 63188927
3-(chloromethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 43470617
2-(aminomethyl)-N-[1-(2,5-difluorophenyl)ethyl]pyridine-4-carboxamide
CID 114325748
2-(aminomethyl)-N-(4-methoxybutan-2-yl)pyridine-4-carboxamide
CID 113277873
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide (CID 114326268) is 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(CN)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is ILXXWVDJPKQPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O/c1-9(10-2-3-13(16)14(17)7-10)20-15(21)11-4-5-19-12(6-11)8-18/h2-7,9H,8,18H2,1H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 324.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).