2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide

C23H30N6O — CID 67083674

IUPAC2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNC3(CC3)C2)c1
InChIInChI=1S/C23H30N6O/c24-22(30)17-12-19(28-21(14-17)29-11-10-26-23(15-29)7-8-23)16-6-9-25-20(13-16)27-18-4-2-1-3-5-18/h6,9,12-14,18,26H,1-5,7-8,10-11,15H2,(H2,24,30)(H,25,27)
InChIKeyQVJHSGOUXFJCFF-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide

2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide (PubChem CID 67083674) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide
PubChem CID67083674
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNC3(CC3)C2)c1
InChIInChI=1S/C23H30N6O/c24-22(30)17-12-19(28-21(14-17)29-11-10-26-23(15-29)7-8-23)16-6-9-25-20(13-16)27-18-4-2-1-3-5-18/h6,9,12-14,18,26H,1-5,7-8,10-11,15H2,(H2,24,30)(H,25,27)
InChIKeyQVJHSGOUXFJCFF-UHFFFAOYSA-N
XLogP2.93
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(cyclohexylamino)-4-pyridinyl]-6-(3,3-dimethylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 142786617
[1-[4-carbamoyl-6-[2-(cyclohexylamino)-4-pyridinyl]-2-pyridinyl]piperidin-4-yl]methylcarbamic acid
CID 67083707
2-piperazin-1-yl-6-[2-(piperidin-4-ylamino)-4-pyridinyl]pyridine-4-carboxylic acid
CID 142786606
4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(hydrazinecarbonyl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 67083794
1-[2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-4-pyridinyl]-3-phenylurea
CID 67088464
4-[4-(aminomethyl)-6-piperazin-1-yl-2-pyridinyl]-N-cyclohexylpyridin-2-amine
CID 67088547
2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
CID 67083636
4-[6-[2-(cyclohexylamino)-4-pyridinyl]-4-(phenylcarbamoylamino)-2-pyridinyl]piperazine-1-carboxylic acid
CID 67083639
N-cyclopentyl-4-(1,7-diazaspiro[4.4]nonan-7-yl)pyrimidin-2-amine
CID 141392242
4-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-yl-2H-pyrrolo[3,4-c]pyridin-1-ol
CID 137018868
N-cyclopentyl-4-(1-piperazin-1-yl-2,6-naphthyridin-3-yl)pyridin-2-amine
CID 67026736
6-(cyclohexylamino)pyridine-3-carboxamide;hydrochloride
CID 3031414

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide (CID 67083674) is 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide is NC(=O)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNC3(CC3)C2)c1.
What is the InChIKey of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide?
The InChIKey is QVJHSGOUXFJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c24-22(30)17-12-19(28-21(14-17)29-11-10-26-23(15-29)7-8-23)16-6-9-25-20(13-16)27-18-4-2-1-3-5-18/h6,9,12-14,18,26H,1-5,7-8,10-11,15H2,(H2,24,30)(H,25,27).
What are the key properties of 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide?
2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylamino)-4-pyridinyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)pyridine-4-carboxamide is sourced from PubChem (CID 67083674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).