2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide

C20H22F2N2O — CID 135370630

IUPAC2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide
SMILESCC[C@H]1CC(C)(C)c2cccc(NC(=O)c3cccnc3C(F)F)c21
InChIInChI=1S/C20H22F2N2O/c1-4-12-11-20(2,3)14-8-5-9-15(16(12)14)24-19(25)13-7-6-10-23-17(13)18(21)22/h5-10,12,18H,4,11H2,1-3H3,(H,24,25)/t12-/m0/s1
InChIKeyCDWPZHIPIACZRT-LBPRGKRZSA-N
MW344.41 g/mol
LogP5.45
Rot. Bonds4

About 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide

2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide (PubChem CID 135370630) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide
PubChem CID135370630
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide
SMILESCC[C@H]1CC(C)(C)c2cccc(NC(=O)c3cccnc3C(F)F)c21
InChIInChI=1S/C20H22F2N2O/c1-4-12-11-20(2,3)14-8-5-9-15(16(12)14)24-19(25)13-7-6-10-23-17(13)18(21)22/h5-10,12,18H,4,11H2,1-3H3,(H,24,25)/t12-/m0/s1
InChIKeyCDWPZHIPIACZRT-LBPRGKRZSA-N
XLogP5.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,3-diethyl-1-methyl-2,3-dihydroinden-4-yl)-2-(difluoromethyl)pyridine-3-carboxamide
CID 121424121
2-(difluoromethyl)-N-(1-ethyl-3-methyl-2,3-dihydro-1H-inden-4-yl)pyridine-3-carboxamide
CID 162575887
N-[1-[2-(difluoromethyl)-3-pyridinyl]ethenyl]-1,1-dimethyl-2,3-dihydroinden-4-amine
CID 146384782
3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 141375746
N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide
CID 155573421
3-(difluoromethyl)-1-methyl-N-(8-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 162568236
2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
CID 14535901
3-(difluoromethyl)-1-methyl-N-(3-methyl-2-propan-2-yl-8-tricyclo[5.4.0.02,6]undeca-1(7),8,10-trienyl)pyrazole-4-carboxamide
CID 163486298
3-(difluoromethyl)-N-[2-(propylamino)phenyl]pyridazine-4-carboxamide
CID 153407339
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631
3-(difluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide;methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 53483223

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide (CID 135370630) is 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide is CC[C@H]1CC(C)(C)c2cccc(NC(=O)c3cccnc3C(F)F)c21.
What is the InChIKey of 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide?
The InChIKey is CDWPZHIPIACZRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-4-12-11-20(2,3)14-8-5-9-15(16(12)14)24-19(25)13-7-6-10-23-17(13)18(21)22/h5-10,12,18H,4,11H2,1-3H3,(H,24,25)/t12-/m0/s1.
What are the key properties of 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide?
2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(3S)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135370630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).