N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide

C20H22N2O — CID 167851603

IUPACN-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
SMILESCc1cc(C)c2c(c1)CCC2NC(=O)c1ccnc2c1CCC2
InChIInChI=1S/C20H22N2O/c1-12-10-13(2)19-14(11-12)6-7-18(19)22-20(23)16-8-9-21-17-5-3-4-15(16)17/h8-11,18H,3-7H2,1-2H3,(H,22,23)
InChIKeyCFGWGAZWEJTFTC-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.60
Rot. Bonds2

About N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide

N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide (PubChem CID 167851603) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
PubChem CID167851603
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
SMILESCc1cc(C)c2c(c1)CCC2NC(=O)c1ccnc2c1CCC2
InChIInChI=1S/C20H22N2O/c1-12-10-13(2)19-14(11-12)6-7-18(19)22-20(23)16-8-9-21-17-5-3-4-15(16)17/h8-11,18H,3-7H2,1-2H3,(H,22,23)
InChIKeyCFGWGAZWEJTFTC-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)acetamide
CID 110180187
ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-3-pyridinyl]carbamate
CID 110179298
2-hydroxy-3-methyl-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167581886
N-[3-[methyl-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)amino]propyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
CID 166328631
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
N-[6-(1-cyclopropyl-2-hydroxy-2-methylpropyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-4-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide
CID 163382322
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-methylpyrimidin-4-yl)-6-oxo-1H-pyridazine-5-carboxamide
CID 69362975
ethyl N-[2-amino-6-[(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]pyridin-1-ium-3-yl]carbamate chloride
CID 136821511
4-amino-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167568086
2-methyl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-3-carboxamide
CID 95740744
3-chloro-2-hydroxy-N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]benzamide
CID 167578761
N-cyclopentyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109204088

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The IUPAC name of N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide (CID 167851603) is N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide.
What is the SMILES notation for N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The canonical SMILES for N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide is Cc1cc(C)c2c(c1)CCC2NC(=O)c1ccnc2c1CCC2.
What is the InChIKey of N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
The InChIKey is CFGWGAZWEJTFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-12-10-13(2)19-14(11-12)6-7-18(19)22-20(23)16-8-9-21-17-5-3-4-15(16)17/h8-11,18H,3-7H2,1-2H3,(H,22,23).
What are the key properties of N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide?
N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-2,3-dihydro-1H-inden-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-4-carboxamide is sourced from PubChem (CID 167851603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).