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

C14H14BrN3O — CID 62178016

IUPACN-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C14H14BrN3O/c1-16-12-5-6-17-13(8-12)14(19)18-9-10-3-2-4-11(15)7-10/h2-8H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeySTSGHQAJGQPYIQ-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.82
Rot. Bonds4

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

N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide (PubChem CID 62178016) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
PubChem CID62178016
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C14H14BrN3O/c1-16-12-5-6-17-13(8-12)14(19)18-9-10-3-2-4-11(15)7-10/h2-8H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeySTSGHQAJGQPYIQ-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 62179336
N-[(3,4-difluorophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175967
N-[1-(3-bromophenyl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62179810
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-[(3-bromophenyl)methyl]-5-hydrazinylpyridine-2-carboxamide
CID 113436329
N-[(3-bromophenyl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 55046295
N-benzyl-4-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109209680
4-(2,6-dimethylanilino)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210217
4-(3-acetylanilino)-N-benzylpyridine-2-carboxamide
CID 109209720
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
4-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-2-carboxamide
CID 55046845

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide (CID 62178016) is N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide is CNc1ccnc(C(=O)NCc2cccc(Br)c2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
The InChIKey is STSGHQAJGQPYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-16-12-5-6-17-13(8-12)14(19)18-9-10-3-2-4-11(15)7-10/h2-8H,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide?
N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62178016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).