N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide

C26H32F4N4O3 — CID 169126725

IUPACN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn([C@H]2CCOC[C@@H]2F)c(=O)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F
InChIInChI=1S/C26H32F4N4O3/c1-15(17-4-3-5-18(24(17)28)25(29)30)31-26(36)19-13-34(22-8-11-37-14-20(22)27)23(35)12-21(19)32-16-6-9-33(2)10-7-16/h3-5,12-13,15-16,20,22,25,32H,6-11,14H2,1-2H3,(H,31,36)/t15-,20+,22+/m1/s1
InChIKeyLECCRWPQHHHXEG-PDXHDDNESA-N
MW524.56 g/mol
LogP4.22
Rot. Bonds7

About N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide

N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide (PubChem CID 169126725) has the molecular formula C26H32F4N4O3 and a molecular weight of 524.56 g/mol. Its IUPAC name is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
PubChem CID169126725
Molecular FormulaC26H32F4N4O3
Molecular Weight524.56 g/mol
Exact Mass524.24
IUPAC NameN-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cn([C@H]2CCOC[C@@H]2F)c(=O)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F
InChIInChI=1S/C26H32F4N4O3/c1-15(17-4-3-5-18(24(17)28)25(29)30)31-26(36)19-13-34(22-8-11-37-14-20(22)27)23(35)12-21(19)32-16-6-9-33(2)10-7-16/h3-5,12-13,15-16,20,22,25,32H,6-11,14H2,1-2H3,(H,31,36)/t15-,20+,22+/m1/s1
InChIKeyLECCRWPQHHHXEG-PDXHDDNESA-N
XLogP4.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.56
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-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

1-benzyl-3-N-methyl-5-N-(oxan-4-yl)-2-oxopyridine-3,5-dicarboxamide
CID 135341834
US20230348424, Example 78
CID 169126969
US10829487, Example I-18
CID 138750778
US10829487, Example I-35
CID 138751111
US20230348424, Example 131
CID 169126687
US20230348424, Example 308
CID 169126692
US20230348424, Example 73
CID 169126693
US20230348424, Example 63
CID 169126701
US20230348424, Example 242
CID 169126702
US20230348424, Example 61
CID 169126706
US20230348424, Example 24
CID 169126709
US20230348424, Example 271
CID 169126713

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide (CID 169126725) is N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide is C[C@@H](NC(=O)c1cn([C@H]2CCOC[C@@H]2F)c(=O)cc1NC1CCN(C)CC1)c1cccc(C(F)F)c1F.
What is the InChIKey of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?
The InChIKey is LECCRWPQHHHXEG-PDXHDDNESA-N. The full InChI is InChI=1S/C26H32F4N4O3/c1-15(17-4-3-5-18(24(17)28)25(29)30)31-26(36)19-13-34(22-8-11-37-14-20(22)27)23(35)12-21(19)32-16-6-9-33(2)10-7-16/h3-5,12-13,15-16,20,22,25,32H,6-11,14H2,1-2H3,(H,31,36)/t15-,20+,22+/m1/s1.
What are the key properties of N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide?
N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide has a molecular weight of 524.56 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]-1-[(3R,4S)-3-fluorooxan-4-yl]-4-[(1-methylpiperidin-4-yl)amino]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 169126725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).