2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide

C25H32N4O — CID 134202894

IUPAC2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(CN3CC4(CCC4)C3)cc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C25H32N4O/c26-23-22(24(30)28-21-5-2-1-3-6-21)13-20(14-27-23)19-9-7-18(8-10-19)15-29-16-25(17-29)11-4-12-25/h7-10,13-14,21H,1-6,11-12,15-17H2,(H2,26,27)(H,28,30)
InChIKeyWYRRZVPTVBHPCW-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.38
Rot. Bonds5

About 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide

2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide (PubChem CID 134202894) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide
PubChem CID134202894
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(CN3CC4(CCC4)C3)cc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C25H32N4O/c26-23-22(24(30)28-21-5-2-1-3-6-21)13-20(14-27-23)19-9-7-18(8-10-19)15-29-16-25(17-29)11-4-12-25/h7-10,13-14,21H,1-6,11-12,15-17H2,(H2,26,27)(H,28,30)
InChIKeyWYRRZVPTVBHPCW-UHFFFAOYSA-N
XLogP4.38
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-[4-[(3-methylmorpholin-4-yl)methyl]phenyl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 175443441
2-amino-N-cyclohexyl-5-[4-[1-(4,4-difluorocyclohexyl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide;ethane
CID 145445440
2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide
CID 126675699
2-amino-N-(1-benzylpyrrolidin-3-yl)-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 142326299
2-amino-N-(4-methylcyclohexyl)-5-phenylpyridine-3-carboxamide
CID 134202942
2-amino-5-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide
CID 126644579
2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
CID 145269463
2-amino-N-cyclohexyl-5-[4-[1-(1-oxothian-4-yl)pyrrolidin-3-yl]phenyl]pyridine-3-carboxamide
CID 166798751
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644185
2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 126644660
2-amino-5-[4-[3-(2,2-difluoropropyl)-3-azabicyclo[3.1.0]hexan-1-yl]phenyl]-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 138628942
2-amino-5-(4-carbamoylphenyl)-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide;ethane;methanamine
CID 160968052

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide (CID 134202894) is 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide is Nc1ncc(-c2ccc(CN3CC4(CCC4)C3)cc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide?
The InChIKey is WYRRZVPTVBHPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c26-23-22(24(30)28-21-5-2-1-3-6-21)13-20(14-27-23)19-9-7-18(8-10-19)15-29-16-25(17-29)11-4-12-25/h7-10,13-14,21H,1-6,11-12,15-17H2,(H2,26,27)(H,28,30).
What are the key properties of 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide?
2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(2-azaspiro[3.3]heptan-2-ylmethyl)phenyl]-N-cyclohexylpyridine-3-carboxamide is sourced from PubChem (CID 134202894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).