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

C17H24N4O3 — CID 135120447

IUPACN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCN1C[C@@H]2C[C@H](N(C)C(=O)c3n[nH]c4c3COCC4)C[C@@H]2CC1=O
InChIInChI=1S/C17H24N4O3/c1-20-8-11-6-12(5-10(11)7-15(20)22)21(2)17(23)16-13-9-24-4-3-14(13)18-19-16/h10-12H,3-9H2,1-2H3,(H,18,19)/t10-,11+,12-/m1/s1
InChIKeySGPPSDBQKMRMTI-GRYCIOLGSA-N
MW332.40 g/mol
LogP0.81
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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 135120447) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID135120447
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCN1C[C@@H]2C[C@H](N(C)C(=O)c3n[nH]c4c3COCC4)C[C@@H]2CC1=O
InChIInChI=1S/C17H24N4O3/c1-20-8-11-6-12(5-10(11)7-15(20)22)21(2)17(23)16-13-9-24-4-3-14(13)18-19-16/h10-12H,3-9H2,1-2H3,(H,18,19)/t10-,11+,12-/m1/s1
InChIKeySGPPSDBQKMRMTI-GRYCIOLGSA-N
XLogP0.81
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(4aR,6S,7aS)-2-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methylpyrazine-2-carboxamide
CID 165427709
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-[(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-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-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 163315410
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-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,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 135095688
N-[(4aS,6S,7aS)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-2-amino-N-methyl-1,3-benzothiazole-5-carboxamide
CID 162631010
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
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

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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 135120447) is N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is CN1C[C@@H]2C[C@H](N(C)C(=O)c3n[nH]c4c3COCC4)C[C@@H]2CC1=O.
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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is SGPPSDBQKMRMTI-GRYCIOLGSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-20-8-11-6-12(5-10(11)7-15(20)22)21(2)17(23)16-13-9-24-4-3-14(13)18-19-16/h10-12H,3-9H2,1-2H3,(H,18,19)/t10-,11+,12-/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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-N-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 135120447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).