N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

C20H15BrN4O2 — CID 133481732

IUPACN-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNc2ccnc3cc(Br)cnc23)cc1)c1ccco1
InChIInChI=1S/C20H15BrN4O2/c21-14-10-17-19(24-12-14)16(7-8-22-17)23-11-13-3-5-15(6-4-13)25-20(26)18-2-1-9-27-18/h1-10,12H,11H2,(H,22,23)(H,25,26)
InChIKeyMNSCIJFNZAJYNX-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.85
Rot. Bonds5

About N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 133481732) has the molecular formula C20H15BrN4O2 and a molecular weight of 423.27 g/mol. Its IUPAC name is N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID133481732
Molecular FormulaC20H15BrN4O2
Molecular Weight423.27 g/mol
Exact Mass422.04
IUPAC NameN-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNc2ccnc3cc(Br)cnc23)cc1)c1ccco1
InChIInChI=1S/C20H15BrN4O2/c21-14-10-17-19(24-12-14)16(7-8-22-17)23-11-13-3-5-15(6-4-13)25-20(26)18-2-1-9-27-18/h1-10,12H,11H2,(H,22,23)(H,25,26)
InChIKeyMNSCIJFNZAJYNX-UHFFFAOYSA-N
XLogP4.85
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 133351732
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273
N-(4-bromo-2-pyridinyl)furan-2-carboxamide
CID 102674239
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936
1-(4-bromophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methylpyrazole-4-carboxamide
CID 55544244
N-[4-[[2-cyano-4-(trifluoromethyl)anilino]methyl]phenyl]furan-2-carboxamide
CID 133373372
N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55602278
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
CID 112982779

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide (CID 133481732) is N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNc2ccnc3cc(Br)cnc23)cc1)c1ccco1.
What is the InChIKey of N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is MNSCIJFNZAJYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O2/c21-14-10-17-19(24-12-14)16(7-8-22-17)23-11-13-3-5-15(6-4-13)25-20(26)18-2-1-9-27-18/h1-10,12H,11H2,(H,22,23)(H,25,26).
What are the key properties of N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 423.27 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 133481732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).