N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide

C27H32N4O — CID 58229656

IUPACN-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccncc2)nc(-c2ccnc(CC3CCCCC3)c2)c1
InChIInChI=1S/C27H32N4O/c1-27(2,3)31-26(32)22-17-24(20-9-12-28-13-10-20)30-25(18-22)21-11-14-29-23(16-21)15-19-7-5-4-6-8-19/h9-14,16-19H,4-8,15H2,1-3H3,(H,31,32)
InChIKeyXSYPLGAEIKPUOA-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.86
Rot. Bonds5

About N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide

N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide (PubChem CID 58229656) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide
PubChem CID58229656
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC NameN-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccncc2)nc(-c2ccnc(CC3CCCCC3)c2)c1
InChIInChI=1S/C27H32N4O/c1-27(2,3)31-26(32)22-17-24(20-9-12-28-13-10-20)30-25(18-22)21-11-14-29-23(16-21)15-19-7-5-4-6-8-19/h9-14,16-19H,4-8,15H2,1-3H3,(H,31,32)
InChIKeyXSYPLGAEIKPUOA-UHFFFAOYSA-N
XLogP5.86
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide with MolForge

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Related Compounds

2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
CID 67083636
tert-butyl (2R)-4-[6-[2-(cyclohexylmethyl)-4-pyridinyl]-4-methoxycarbonyl-2-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 58229672
4-tert-butyl-2-(cyclohexylmethyl)pyridine;4-tert-butyl-2-(cyclopentylmethyl)pyridine
CID 159957482
N-tert-butyl-2-[2-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 130298804
2-[2-(cyclohexylmethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole;formaldehyde
CID 144801100
6-[2-[(4-aminocyclohexyl)methyl]-4-pyridinyl]-N-(cyclohexylmethyl)pyridin-2-amine
CID 58127366
2,6-dipyridin-4-ylpyridine-4-carboxylic acid
CID 46316682
tert-butyl 4-[4-(tert-butylcarbamoyl)-6-[2-[(3-methoxycarbonyl-2-methylphenyl)methyl]-4-pyridinyl]-2-pyridinyl]piperazine-1-carboxylate
CID 58229657
2-(cyclopentylmethyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]pyridine-4-carboxamide
CID 58328231
[2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]methanol
CID 58229622
2-(2-cyclopentylethylamino)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 22595679
N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009834

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide (CID 58229656) is N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccncc2)nc(-c2ccnc(CC3CCCCC3)c2)c1.
What is the InChIKey of N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide?
The InChIKey is XSYPLGAEIKPUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-27(2,3)31-26(32)22-17-24(20-9-12-28-13-10-20)30-25(18-22)21-11-14-29-23(16-21)15-19-7-5-4-6-8-19/h9-14,16-19H,4-8,15H2,1-3H3,(H,31,32).
What are the key properties of N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide?
N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(cyclohexylmethyl)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 58229656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).