N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide

C14H15BrN4O — CID 104641936

IUPACN-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccncc2Br)nc1
InChIInChI=1S/C14H15BrN4O/c1-2-6-17-10-3-4-13(18-8-10)14(20)19-12-5-7-16-9-11(12)15/h3-5,7-9,17H,2,6H2,1H3,(H,16,19,20)
InChIKeyVYQJWODKUARPCQ-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.31
Rot. Bonds5

About N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide

N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104641936) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID104641936
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC NameN-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccncc2Br)nc1
InChIInChI=1S/C14H15BrN4O/c1-2-6-17-10-3-4-13(18-8-10)14(20)19-12-5-7-16-9-11(12)15/h3-5,7-9,17H,2,6H2,1H3,(H,16,19,20)
InChIKeyVYQJWODKUARPCQ-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 107595450
N-(3-methyl-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641367
N-(3-bromo-4-pyridinyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 114924258
N-(2-bromo-3-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641911
N-(2-methyl-3-pyridinyl)-5-(propylamino)pyridine-2-carboxamide
CID 104641691
N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641633
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737
N-(2-bromo-4-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640072
N-(2-methoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179366
N-(3-chloro-2-methylphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179356
N-(2-bromo-4-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166813
N-(3-fluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179399

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide (CID 104641936) is N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)Nc2ccncc2Br)nc1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is VYQJWODKUARPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-2-6-17-10-3-4-13(18-8-10)14(20)19-12-5-7-16-9-11(12)15/h3-5,7-9,17H,2,6H2,1H3,(H,16,19,20).
What are the key properties of N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide?
N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104641936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).