2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide

C28H31FN4O3 — CID 129271702

IUPAC2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2C)cc1-c1cc2n(c(=O)c1)CC[C@H]1COCCN21
InChIInChI=1S/C28H31FN4O3/c1-17-5-6-20(31-27(35)22-7-9-30-26(18(22)2)28(3,4)29)15-23(17)19-13-24-32-11-12-36-16-21(32)8-10-33(24)25(34)14-19/h5-7,9,13-15,21H,8,10-12,16H2,1-4H3,(H,31,35)/t21-/m0/s1
InChIKeyIIEKDJZFRLFGDE-NRFANRHFSA-N
MW490.58 g/mol
LogP4.59
Rot. Bonds4

About 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide

2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide (PubChem CID 129271702) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide
PubChem CID129271702
Molecular FormulaC28H31FN4O3
Molecular Weight490.58 g/mol
Exact Mass490.24
IUPAC Name2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2C)cc1-c1cc2n(c(=O)c1)CC[C@H]1COCCN21
InChIInChI=1S/C28H31FN4O3/c1-17-5-6-20(31-27(35)22-7-9-30-26(18(22)2)28(3,4)29)15-23(17)19-13-24-32-11-12-36-16-21(32)8-10-33(24)25(34)14-19/h5-7,9,13-15,21H,8,10-12,16H2,1-4H3,(H,31,35)/t21-/m0/s1
InChIKeyIIEKDJZFRLFGDE-NRFANRHFSA-N
XLogP4.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

3-fluoro-N-[3-[(11R)-8-(2-hydroxyethyl)-9-oxo-13-oxa-1,6,8-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129271668
N-[3-[(4aR,6R)-6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
CID 129271923
N-[3-[(4aS,6S)-6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
CID 129271834
N-[3-[(4aR,6R)-6-(2-hydroxyethoxy)-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
CID 129272310
N-[3-[(4aR,6R)-6-methoxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
CID 129248915
N-[3-[(4aR,6R)-6-methyl-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129272305
N-[3-[(4aR,6S)-6-methyl-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129272376
N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129248690
N-[3-(6-amino-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129271848
N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-2-(oxetan-3-yl)pyridine-4-carboxamide
CID 90457250
N-[3-[(2R,7S)-10-ethyl-9-oxo-5,8-dioxa-10,12-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-trien-14-yl]-4-methylphenyl]-3-fluoro-2-(trifluoromethyl)pyridine-4-carboxamide
CID 137361835
N-[3-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a][1,5]naphthyridin-9-yl)-4-methylphenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 129271853

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide (CID 129271702) is 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2C)cc1-c1cc2n(c(=O)c1)CC[C@H]1COCCN21.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is IIEKDJZFRLFGDE-NRFANRHFSA-N. The full InChI is InChI=1S/C28H31FN4O3/c1-17-5-6-20(31-27(35)22-7-9-30-26(18(22)2)28(3,4)29)15-23(17)19-13-24-32-11-12-36-16-21(32)8-10-33(24)25(34)14-19/h5-7,9,13-15,21H,8,10-12,16H2,1-4H3,(H,31,35)/t21-/m0/s1.
What are the key properties of 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide?
2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-3-methyl-N-[4-methyl-3-[(10S)-6-oxo-12-oxa-1,7-diazatricyclo[8.4.0.02,7]tetradeca-2,4-dien-4-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 129271702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).