N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide

C18H25N3O3 — CID 135095688

IUPACN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c(=O)[nH]1
InChIInChI=1S/C18H25N3O3/c1-10-5-11(2)19-17(23)16(10)18(24)21(4)14-6-12-8-15(22)20(3)9-13(12)7-14/h5,12-14H,6-9H2,1-4H3,(H,19,23)/t12-,13+,14-/m1/s1
InChIKeyPHHAKQPDBZEXQR-HZSPNIEDSA-N
MW331.42 g/mol
LogP1.32
Rot. Bonds2

About N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 135095688) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID135095688
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c(=O)[nH]1
InChIInChI=1S/C18H25N3O3/c1-10-5-11(2)19-17(23)16(10)18(24)21(4)14-6-12-8-15(22)20(3)9-13(12)7-14/h5,12-14H,6-9H2,1-4H3,(H,19,23)/t12-,13+,14-/m1/s1
InChIKeyPHHAKQPDBZEXQR-HZSPNIEDSA-N
XLogP1.32
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N,5-dimethylbenzamide
CID 134711890
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 164692241
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,3-dimethylpyridine-2-carboxamide
CID 157011004
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 135117420
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-5-chloro-N,3-dimethyl-1H-indole-2-carboxamide
CID 134709436
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-6-amino-N-methylpyridine-3-carboxamide
CID 162626481
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-(aminomethyl)-N-methylbenzamide
CID 134711871
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide;formic acid
CID 171317185
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-propan-2-yloxybenzamide
CID 134703177
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 134702333
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 135109487
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-3-chloro-N-methylpyridine-4-carboxamide
CID 134696883

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 135095688) is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c(=O)[nH]1.
What is the InChIKey of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PHHAKQPDBZEXQR-HZSPNIEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-10-5-11(2)19-17(23)16(10)18(24)21(4)14-6-12-8-15(22)20(3)9-13(12)7-14/h5,12-14H,6-9H2,1-4H3,(H,19,23)/t12-,13+,14-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 135095688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).