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

C16H23N3O — CID 66469560

IUPACN-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCC3CCCCC3N2)n1
InChIInChI=1S/C16H23N3O/c1-11-5-4-8-15(17-11)19-16(20)14-10-9-12-6-2-3-7-13(12)18-14/h4-5,8,12-14,18H,2-3,6-7,9-10H2,1H3,(H,17,19,20)
InChIKeyBINPKTICNVNIHL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.64
Rot. Bonds2

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

N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 66469560) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID66469560
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESCc1cccc(NC(=O)C2CCC3CCCCC3N2)n1
InChIInChI=1S/C16H23N3O/c1-11-5-4-8-15(17-11)19-16(20)14-10-9-12-6-2-3-7-13(12)18-14/h4-5,8,12-14,18H,2-3,6-7,9-10H2,1H3,(H,17,19,20)
InChIKeyBINPKTICNVNIHL-UHFFFAOYSA-N
XLogP2.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 66469560) is N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is Cc1cccc(NC(=O)C2CCC3CCCCC3N2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is BINPKTICNVNIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-5-4-8-15(17-11)19-16(20)14-10-9-12-6-2-3-7-13(12)18-14/h4-5,8,12-14,18H,2-3,6-7,9-10H2,1H3,(H,17,19,20).
What are the key properties of N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 66469560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).