N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide

C24H29N5O3 — CID 23740092

IUPACN-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C24H29N5O3/c1-16-4-2-5-17(14-16)23(31)28-12-13-29(24(32)18-6-3-11-26-15-18)22(28)21(30)27-20-9-7-19(25)8-10-20/h2-6,11,14-15,19-20,22H,7-10,12-13,25H2,1H3,(H,27,30)
InChIKeyJNEBHIYBZCVAJQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.70
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide (PubChem CID 23740092) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
PubChem CID23740092
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
SMILESCc1cccc(C(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C24H29N5O3/c1-16-4-2-5-17(14-16)23(31)28-12-13-29(24(32)18-6-3-11-26-15-18)22(28)21(30)27-20-9-7-19(25)8-10-20/h2-6,11,14-15,19-20,22H,7-10,12-13,25H2,1H3,(H,27,30)
InChIKeyJNEBHIYBZCVAJQ-UHFFFAOYSA-N
XLogP1.70
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide (CID 23740092) is N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide is Cc1cccc(C(=O)N2CCN(C(=O)c3cccnc3)C2C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide?
The InChIKey is JNEBHIYBZCVAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-4-2-5-17(14-16)23(31)28-12-13-29(24(32)18-6-3-11-26-15-18)22(28)21(30)27-20-9-7-19(25)8-10-20/h2-6,11,14-15,19-20,22H,7-10,12-13,25H2,1H3,(H,27,30).
What are the key properties of N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23740092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).