N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide

C18H27N3O — CID 164635907

IUPACN-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC3(CC2)C[C@@H]3N)c(C(C)C)n1
InChIInChI=1S/C18H27N3O/c1-11(2)16-14(5-4-12(3)20-16)17(22)21-13-6-8-18(9-7-13)10-15(18)19/h4-5,11,13,15H,6-10,19H2,1-3H3,(H,21,22)/t13?,15-,18?/m0/s1
InChIKeyMIJFOZKWOIEOGU-DBQDNQAGSA-N
MW301.43 g/mol
LogP2.90
Rot. Bonds3

About N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide

N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide (PubChem CID 164635907) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide
PubChem CID164635907
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC2CCC3(CC2)C[C@@H]3N)c(C(C)C)n1
InChIInChI=1S/C18H27N3O/c1-11(2)16-14(5-4-12(3)20-16)17(22)21-13-6-8-18(9-7-13)10-15(18)19/h4-5,11,13,15H,6-10,19H2,1-3H3,(H,21,22)/t13?,15-,18?/m0/s1
InChIKeyMIJFOZKWOIEOGU-DBQDNQAGSA-N
XLogP2.90
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide (CID 164635907) is N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide is Cc1ccc(C(=O)NC2CCC3(CC2)C[C@@H]3N)c(C(C)C)n1.
What is the InChIKey of N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MIJFOZKWOIEOGU-DBQDNQAGSA-N. The full InChI is InChI=1S/C18H27N3O/c1-11(2)16-14(5-4-12(3)20-16)17(22)21-13-6-8-18(9-7-13)10-15(18)19/h4-5,11,13,15H,6-10,19H2,1-3H3,(H,21,22)/t13?,15-,18?/m0/s1.
What are the key properties of N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide?
N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-aminospiro[2.5]octan-6-yl]-6-methyl-2-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 164635907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).