2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide

C14H14BrN3O — CID 114326336

IUPAC2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2cccc(Br)c2)ccn1
InChIInChI=1S/C14H14BrN3O/c15-12-3-1-2-10(6-12)9-18-14(19)11-4-5-17-13(7-11)8-16/h1-7H,8-9,16H2,(H,18,19)
InChIKeyTXWZZFWPKXCGCU-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.23
Rot. Bonds4

About 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide (PubChem CID 114326336) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
PubChem CID114326336
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2cccc(Br)c2)ccn1
InChIInChI=1S/C14H14BrN3O/c15-12-3-1-2-10(6-12)9-18-14(19)11-4-5-17-13(7-11)8-16/h1-7H,8-9,16H2,(H,18,19)
InChIKeyTXWZZFWPKXCGCU-UHFFFAOYSA-N
XLogP2.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
N-[(3-bromophenyl)methyl]-2,3-difluoropyridine-4-carboxamide
CID 105381021
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282
2-(aminomethyl)-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 112530316
N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 55046295
2-(aminomethyl)-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 82738139
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62178016

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide (CID 114326336) is 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide is NCc1cc(C(=O)NCc2cccc(Br)c2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is TXWZZFWPKXCGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-12-3-1-2-10(6-12)9-18-14(19)11-4-5-17-13(7-11)8-16/h1-7H,8-9,16H2,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).