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

C17H25N3O — CID 115910697

IUPACN-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCc1cc(N)cnc1NC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H25N3O/c1-11-8-15(18)10-19-16(11)20-17(21)14-7-6-12-4-2-3-5-13(12)9-14/h8,10,12-14H,2-7,9,18H2,1H3,(H,19,20,21)
InChIKeyXSBXDDJLZGSSKM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.52
Rot. Bonds2

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

N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (PubChem CID 115910697) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
PubChem CID115910697
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
SMILESCc1cc(N)cnc1NC(=O)C1CCC2CCCCC2C1
InChIInChI=1S/C17H25N3O/c1-11-8-15(18)10-19-16(11)20-17(21)14-7-6-12-4-2-3-5-13(12)9-14/h8,10,12-14H,2-7,9,18H2,1H3,(H,19,20,21)
InChIKeyXSBXDDJLZGSSKM-UHFFFAOYSA-N
XLogP3.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide (CID 115910697) is N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is Cc1cc(N)cnc1NC(=O)C1CCC2CCCCC2C1.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
The InChIKey is XSBXDDJLZGSSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11-8-15(18)10-19-16(11)20-17(21)14-7-6-12-4-2-3-5-13(12)9-14/h8,10,12-14H,2-7,9,18H2,1H3,(H,19,20,21).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide?
N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide is sourced from PubChem (CID 115910697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).