2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide

C25H32N6O3 — CID 23941237

IUPAC2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCN(C(=O)c3cccnc3)C2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C25H32N6O3/c1-17-5-2-7-21(15-17)29-25(34)31-14-4-13-30(24(33)18-6-3-12-27-16-18)23(31)22(32)28-20-10-8-19(26)9-11-20/h2-3,5-7,12,15-16,19-20,23H,4,8-11,13-14,26H2,1H3,(H,28,32)(H,29,34)
InChIKeyAABATVVDAQPRFH-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.48
Rot. Bonds4

About 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide

2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide (PubChem CID 23941237) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
PubChem CID23941237
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCN(C(=O)c3cccnc3)C2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C25H32N6O3/c1-17-5-2-7-21(15-17)29-25(34)31-14-4-13-30(24(33)18-6-3-12-27-16-18)23(31)22(32)28-20-10-8-19(26)9-11-20/h2-3,5-7,12,15-16,19-20,23H,4,8-11,13-14,26H2,1H3,(H,28,32)(H,29,34)
InChIKeyAABATVVDAQPRFH-UHFFFAOYSA-N
XLogP2.48
TPSA120.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23740092
2-N-(2-aminoethyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
CID 23908107
2-N-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23876800
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23821876
2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
CID 23764104
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
CID 23936832
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide
CID 23883208
2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23771261
phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
CID 23884026
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3727872
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23935371
3-[[1-(5-bromopyridine-3-carbonyl)-3-[(3-fluorophenyl)carbamoyl]-1,3-diazinane-2-carbonyl]amino]-3-(3-methylphenyl)propanoic acid
CID 23884670

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide (CID 23941237) is 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCCN(C(=O)c3cccnc3)C2C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide?
The InChIKey is AABATVVDAQPRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-17-5-2-7-21(15-17)29-25(34)31-14-4-13-30(24(33)18-6-3-12-27-16-18)23(31)22(32)28-20-10-8-19(26)9-11-20/h2-3,5-7,12,15-16,19-20,23H,4,8-11,13-14,26H2,1H3,(H,28,32)(H,29,34).
What are the key properties of 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide?
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide has a molecular weight of 464.57 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide is sourced from PubChem (CID 23941237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).