3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide

C23H19F2N5O — CID 167511649

IUPAC3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4cccc(C(F)F)c4)cnc3C)cc2cn1
InChIInChI=1S/C23H19F2N5O/c1-13-19(16-7-17-11-29-21(26-2)9-20(17)28-10-16)8-18(12-27-13)30-23(31)15-5-3-4-14(6-15)22(24)25/h3-12,22H,1-2H3,(H,26,29)(H,30,31)
InChIKeyWVKOATWYRFDCNI-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.23
Rot. Bonds5

About 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide

3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide (PubChem CID 167511649) has the molecular formula C23H19F2N5O and a molecular weight of 419.44 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide
PubChem CID167511649
Molecular FormulaC23H19F2N5O
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide
SMILESCNc1cc2ncc(-c3cc(NC(=O)c4cccc(C(F)F)c4)cnc3C)cc2cn1
InChIInChI=1S/C23H19F2N5O/c1-13-19(16-7-17-11-29-21(26-2)9-20(17)28-10-16)8-18(12-27-13)30-23(31)15-5-3-4-14(6-15)22(24)25/h3-12,22H,1-2H3,(H,26,29)(H,30,31)
InChIKeyWVKOATWYRFDCNI-UHFFFAOYSA-N
XLogP5.23
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide 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

2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 167511541
2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide
CID 167511866
N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
CID 167511498
tert-butyl N-[2,2-difluoro-2-[6-[[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]carbamoyl]-2-pyridinyl]ethyl]-N-methylcarbamate
CID 167511789
4-hydroxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-3,4-dihydro-2H-pyrano[2,3-c]pyridine-8-carboxamide
CID 167511428
N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridine-2-carboxamide
CID 167511653
N-[5-[6-(ethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 166656717
N-[5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 154684237
3-fluoro-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzamide
CID 113017898
N-[3-(2-aminoquinazolin-6-yl)-5-(trifluoromethyl)phenyl]-3-propan-2-ylbenzamide
CID 11546872
4-(2-cyanopropan-2-yl)-N-[5-[7-(ethylamino)-1,6-naphthyridin-3-yl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide
CID 167511728
N-[5-[5-cyano-6-(3,3-dimethylazetidin-1-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-3-sulfanylbenzamide
CID 155216156

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide (CID 167511649) is 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide is CNc1cc2ncc(-c3cc(NC(=O)c4cccc(C(F)F)c4)cnc3C)cc2cn1.
What is the InChIKey of 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide?
The InChIKey is WVKOATWYRFDCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O/c1-13-19(16-7-17-11-29-21(26-2)9-20(17)28-10-16)8-18(12-27-13)30-23(31)15-5-3-4-14(6-15)22(24)25/h3-12,22H,1-2H3,(H,26,29)(H,30,31).
What are the key properties of 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide?
3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide has a molecular weight of 419.44 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 167511649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).