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

C20H22F2N2O — CID 155573421

IUPACN-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide
SMILESCC[C@H]1c2c(NC(=O)c3cccnc3)cccc2C(C)(C)C1C(F)F
InChIInChI=1S/C20H22F2N2O/c1-4-13-16-14(20(2,3)17(13)18(21)22)8-5-9-15(16)24-19(25)12-7-6-10-23-11-12/h5-11,13,17-18H,4H2,1-3H3,(H,24,25)/t13-,17?/m0/s1
InChIKeyPGMSQQSCZMJHQW-CWQZNGJJSA-N
MW344.41 g/mol
LogP5.00
Rot. Bonds4

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

N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide (PubChem CID 155573421) has the molecular formula C20H22F2N2O and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide
PubChem CID155573421
Molecular FormulaC20H22F2N2O
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide
SMILESCC[C@H]1c2c(NC(=O)c3cccnc3)cccc2C(C)(C)C1C(F)F
InChIInChI=1S/C20H22F2N2O/c1-4-13-16-14(20(2,3)17(13)18(21)22)8-5-9-15(16)24-19(25)12-7-6-10-23-11-12/h5-11,13,17-18H,4H2,1-3H3,(H,24,25)/t13-,17?/m0/s1
InChIKeyPGMSQQSCZMJHQW-CWQZNGJJSA-N
XLogP5.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-naphthalen-1-ylpyridine-3-carboxamide
CID 532824
N-[2-[(Z)-oxidoiminomethyl]phenyl]pyridine-3-carboxamide
CID 21204174
N-(3-chloro-2-methylphenyl)pyridine-3-carboxamide;hydrochloride
CID 110756419
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 31974220
N-(2H-benzotriazol-4-yl)pyridine-3-carboxamide
CID 110732146
N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 47234684
N-[2-(3-hydroxyprop-1-ynyl)phenyl]pyridine-3-carboxamide
CID 54923430
N-[2-(3-methoxypropanoylamino)phenyl]pyridine-3-carboxamide
CID 108925343
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
N-[2-(pyridine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 108925361
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide (CID 155573421) is N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide is CC[C@H]1c2c(NC(=O)c3cccnc3)cccc2C(C)(C)C1C(F)F.
What is the InChIKey of N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide?
The InChIKey is PGMSQQSCZMJHQW-CWQZNGJJSA-N. The full InChI is InChI=1S/C20H22F2N2O/c1-4-13-16-14(20(2,3)17(13)18(21)22)8-5-9-15(16)24-19(25)12-7-6-10-23-11-12/h5-11,13,17-18H,4H2,1-3H3,(H,24,25)/t13-,17?/m0/s1.
What are the key properties of N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide?
N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-(difluoromethyl)-3-ethyl-1,1-dimethyl-2,3-dihydroinden-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155573421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).