N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide

C29H30F2N4O3 — CID 129248796

IUPACN-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
SMILESCCN1C(=O)[C@@H]2COCC[C@@]2(C)c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cnc21
InChIInChI=1S/C29H30F2N4O3/c1-5-35-25-22(28(3)9-11-38-16-23(28)27(35)37)12-19(15-33-25)21-14-20(7-6-17(21)2)34-26(36)18-8-10-32-24(13-18)29(4,30)31/h6-8,10,12-15,23H,5,9,11,16H2,1-4H3,(H,34,36)/t23-,28-/m0/s1
InChIKeyNGSVCGOGIBWCMH-FIPFOOKPSA-N
MW520.58 g/mol
LogP5.48
Rot. Bonds5

About N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide

N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide (PubChem CID 129248796) has the molecular formula C29H30F2N4O3 and a molecular weight of 520.58 g/mol. Its IUPAC name is N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
PubChem CID129248796
Molecular FormulaC29H30F2N4O3
Molecular Weight520.58 g/mol
Exact Mass520.23
IUPAC NameN-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
SMILESCCN1C(=O)[C@@H]2COCC[C@@]2(C)c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cnc21
InChIInChI=1S/C29H30F2N4O3/c1-5-35-25-22(28(3)9-11-38-16-23(28)27(35)37)12-19(15-33-25)21-14-20(7-6-17(21)2)34-26(36)18-8-10-32-24(13-18)29(4,30)31/h6-8,10,12-15,23H,5,9,11,16H2,1-4H3,(H,34,36)/t23-,28-/m0/s1
InChIKeyNGSVCGOGIBWCMH-FIPFOOKPSA-N
XLogP5.48
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-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-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 132067922
2-tert-butyl-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 86296890
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]pyridine-4-carboxamide
CID 86297889
N-[4-methyl-3-[2-morpholin-4-yl-6-(oxolan-3-ylmethylamino)pyridin-4-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90456641
N-[4-methyl-3-[2-morpholin-4-yl-6-(oxolan-3-ylamino)pyridin-4-yl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90461048
2-(difluoromethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90461060
2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]pyridine-4-carboxamide
CID 90461292
2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 117609672
N-[4-methyl-3-(2-morpholin-4-yl-6-piperazin-1-ylpyridin-4-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117609720
2-(1,1-difluoropropyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 117609903
N-[3-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 117610072
US10245267, Example 1137
CID 117610078

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide (CID 129248796) is N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide is CCN1C(=O)[C@@H]2COCC[C@@]2(C)c2cc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)cnc21.
What is the InChIKey of N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The InChIKey is NGSVCGOGIBWCMH-FIPFOOKPSA-N. The full InChI is InChI=1S/C29H30F2N4O3/c1-5-35-25-22(28(3)9-11-38-16-23(28)27(35)37)12-19(15-33-25)21-14-20(7-6-17(21)2)34-26(36)18-8-10-32-24(13-18)29(4,30)31/h6-8,10,12-15,23H,5,9,11,16H2,1-4H3,(H,34,36)/t23-,28-/m0/s1.
What are the key properties of N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide has a molecular weight of 520.58 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aS,10bR)-6-ethyl-10b-methyl-5-oxo-1,2,4,4a-tetrahydropyrano[3,4-c][1,8]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 129248796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).