N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C14H22N4O — CID 66469787

IUPACN-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCn1nccc1NC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C14H22N4O/c1-18-13(8-9-15-18)17-14(19)12-7-6-10-4-2-3-5-11(10)16-12/h8-12,16H,2-7H2,1H3,(H,17,19)
InChIKeyVJYSVLNNKLELHN-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.67
Rot. Bonds2

About N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66469787) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66469787
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCn1nccc1NC(=O)C1CCC2CCCCC2N1
InChIInChI=1S/C14H22N4O/c1-18-13(8-9-15-18)17-14(19)12-7-6-10-4-2-3-5-11(10)16-12/h8-12,16H,2-7H2,1H3,(H,17,19)
InChIKeyVJYSVLNNKLELHN-UHFFFAOYSA-N
XLogP1.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

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Related Compounds

(2S)-N-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 94001045
N-pyridin-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470963
N-(3-methyl-4-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66468996
N-(2,6-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470360
N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469560
N-(5-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469561
N-(4-bromophenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471768
N-(2,4-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471167
N-(2-hydroxy-3-methylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 79590364
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470805
3-[(2-methylpyrazol-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55235020
N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 81399681

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66469787) is N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is Cn1nccc1NC(=O)C1CCC2CCCCC2N1.
What is the InChIKey of N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is VJYSVLNNKLELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18-13(8-9-15-18)17-14(19)12-7-6-10-4-2-3-5-11(10)16-12/h8-12,16H,2-7H2,1H3,(H,17,19).
What are the key properties of N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpyrazol-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66469787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).