N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C17H24N4O — CID 75133203

IUPACN-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(C1NNC2CCCCC21)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C17H24N4O/c22-17(16-14-5-1-2-6-15(14)19-20-16)21(13-7-8-13)11-12-4-3-9-18-10-12/h3-4,9-10,13-16,19-20H,1-2,5-8,11H2
InChIKeyYCCJSIXVJICKMJ-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.61
Rot. Bonds4

About N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 75133203) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID75133203
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESO=C(C1NNC2CCCCC21)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C17H24N4O/c22-17(16-14-5-1-2-6-15(14)19-20-16)21(13-7-8-13)11-12-4-3-9-18-10-12/h3-4,9-10,13-16,19-20H,1-2,5-8,11H2
InChIKeyYCCJSIXVJICKMJ-UHFFFAOYSA-N
XLogP1.61
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
N-cyclopropyl-N-(pyridin-3-ylmethyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712917
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 72671555
N-[[4-(cyclohex-3-en-1-ylmethoxy)phenyl]methyl]-N-cyclopropyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrazole-3-carboxamide
CID 74791682
N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
CID 75261208
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 54874663
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 75133203) is N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is O=C(C1NNC2CCCCC21)N(Cc1cccnc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is YCCJSIXVJICKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c22-17(16-14-5-1-2-6-15(14)19-20-16)21(13-7-8-13)11-12-4-3-9-18-10-12/h3-4,9-10,13-16,19-20H,1-2,5-8,11H2.
What are the key properties of N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyridin-3-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 75133203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).