N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide

C14H14BrN3O — CID 81236092

IUPACN-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H14BrN3O/c1-2-17-12-7-8-16-9-10(12)14(19)18-13-6-4-3-5-11(13)15/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyTZZUAPVAQYDFNV-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.53
Rot. Bonds4

About N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide

N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81236092) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81236092
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1ccccc1Br
InChIInChI=1S/C14H14BrN3O/c1-2-17-12-7-8-16-9-10(12)14(19)18-13-6-4-3-5-11(13)15/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyTZZUAPVAQYDFNV-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
N-(3-bromo-4-chlorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245404
N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242957
4-(ethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81235983
N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81235699
N-(2,6-dimethyl-3-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245038
4-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 81235788
4-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 81236169
4-(ethylamino)-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81233596
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 81236730
N-(3-chloro-2-pyridinyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103094868

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide (CID 81236092) is N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is TZZUAPVAQYDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-2-17-12-7-8-16-9-10(12)14(19)18-13-6-4-3-5-11(13)15/h3-9H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide?
N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 320.19 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81236092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).