N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide

C14H12BrF2N3O — CID 81235699

IUPACN-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrF2N3O/c1-2-19-12-3-4-18-7-9(12)14(21)20-13-10(16)5-8(15)6-11(13)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyKOLDKLNWIHECJD-UHFFFAOYSA-N
MW356.17 g/mol
LogP3.81
Rot. Bonds4

About N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide

N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide (PubChem CID 81235699) has the molecular formula C14H12BrF2N3O and a molecular weight of 356.17 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide
PubChem CID81235699
Molecular FormulaC14H12BrF2N3O
Molecular Weight356.17 g/mol
Exact Mass355.01
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrF2N3O/c1-2-19-12-3-4-18-7-9(12)14(21)20-13-10(16)5-8(15)6-11(13)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21)
InChIKeyKOLDKLNWIHECJD-UHFFFAOYSA-N
XLogP3.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(4-bromo-2,6-difluorophenyl)pyridine-3-carboxamide
CID 81245018
N-(5-bromo-2-methylphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242957
4-(ethylamino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 81236169
N-(2-bromophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236092
N-(3-bromo-4-chlorophenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81245404
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 81236730
4-(ethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81235983
4-(ethylamino)-N-(4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 81241556
4-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 81235788
N-(4-bromo-2,6-difluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 65499839
4-(ethylamino)-N-(5-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 81233596
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide (CID 81235699) is N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide is CCNc1ccncc1C(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide?
The InChIKey is KOLDKLNWIHECJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O/c1-2-19-12-3-4-18-7-9(12)14(21)20-13-10(16)5-8(15)6-11(13)17/h3-7H,2H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide?
N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide has a molecular weight of 356.17 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-4-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81235699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).