N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

C18H15BrN4O — CID 109171963

IUPACN-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C18H15BrN4O/c19-15-5-1-2-6-16(15)23-18(24)14-7-9-21-17(10-14)22-12-13-4-3-8-20-11-13/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyDYUKHGOSJXNAEU-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.10
Rot. Bonds5

About N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171963) has the molecular formula C18H15BrN4O and a molecular weight of 383.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171963
Molecular FormulaC18H15BrN4O
Molecular Weight383.25 g/mol
Exact Mass382.04
IUPAC NameN-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C18H15BrN4O/c19-15-5-1-2-6-16(15)23-18(24)14-7-9-21-17(10-14)22-12-13-4-3-8-20-11-13/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyDYUKHGOSJXNAEU-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171966
N-(2,5-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171976
N-(2-morpholin-4-ylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171960
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121053
N-(2,6-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171978
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171981
N-(2-bromo-4-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157908
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109165425
2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide
CID 109169578
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
N-(2-chlorophenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109349914

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (CID 109171963) is N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is O=C(Nc1ccccc1Br)c1ccnc(NCc2cccnc2)c1.
What is the InChIKey of N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is DYUKHGOSJXNAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O/c19-15-5-1-2-6-16(15)23-18(24)14-7-9-21-17(10-14)22-12-13-4-3-8-20-11-13/h1-11H,12H2,(H,21,22)(H,23,24).
What are the key properties of N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 383.25 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).