4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile

C21H14ClFN6 — CID 73011300

IUPAC4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(CNc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H14ClFN6/c22-18-7-14(3-4-19(18)23)29-21-13(8-24)9-28-20-12-27-16(6-17(20)21)11-26-15-2-1-5-25-10-15/h1-7,9-10,12,26H,11H2,(H,28,29)
InChIKeyVKILOIWJKHMHKG-UHFFFAOYSA-N
MW404.84 g/mol
LogP5.04
Rot. Bonds5

About 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile

4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile (PubChem CID 73011300) has the molecular formula C21H14ClFN6 and a molecular weight of 404.84 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile
PubChem CID73011300
Molecular FormulaC21H14ClFN6
Molecular Weight404.84 g/mol
Exact Mass404.10
IUPAC Name4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1cnc2cnc(CNc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C21H14ClFN6/c22-18-7-14(3-4-19(18)23)29-21-13(8-24)9-28-20-12-27-16(6-17(20)21)11-26-15-2-1-5-25-10-15/h1-7,9-10,12,26H,11H2,(H,28,29)
InChIKeyVKILOIWJKHMHKG-UHFFFAOYSA-N
XLogP5.04
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.84
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

4-(3-chloro-4-fluoroanilino)-7-methyl-6-(pyridin-3-ylmethylamino)quinoline-3-carbonitrile
CID 69259031
4-(3-chloro-4-fluoroanilino)-6-[(4-cyanophenyl)methylamino]quinoline-3-carbonitrile
CID 69258656
6-[(3-bromophenyl)methylamino]-4-(3-chloro-4-fluoroanilino)-1,7-naphthyridine-3-carbonitrile
CID 175257756
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
4-(4-chloro-3-fluoroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69183763
4-(3-chloro-4-fluoroanilino)-6-ethylquinoline-3-carbonitrile;hydrochloride
CID 45283835
6-chloro-4-(3-chloro-4-fluoroanilino)-8-[[(4-fluorophenyl)-pyridin-3-ylmethyl]amino]quinoline-3-carbonitrile
CID 155314897
4-[(3-chloro-4-fluorophenyl)methylamino]-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69316825
methyl 2-[2-[[[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]amino]methyl]imidazol-1-yl]acetate
CID 69259355
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-pyridin-3-yloxyquinolin-6-yl]-4-hydrazinylbut-2-enamide
CID 174673758
6-chloro-4-(4-fluoroanilino)quinoline-3-carbonitrile
CID 50768733
4-(3,5-dichloroanilino)-6-fluoro-1,7-naphthyridine-3-carbonitrile
CID 69181938

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile (CID 73011300) is 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile is N#Cc1cnc2cnc(CNc3cccnc3)cc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile?
The InChIKey is VKILOIWJKHMHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN6/c22-18-7-14(3-4-19(18)23)29-21-13(8-24)9-28-20-12-27-16(6-17(20)21)11-26-15-2-1-5-25-10-15/h1-7,9-10,12,26H,11H2,(H,28,29).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile?
4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile has a molecular weight of 404.84 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-6-[(pyridin-3-ylamino)methyl]-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 73011300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).