1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

C20H23ClN4O2 — CID 6487903

IUPAC1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)NC1(C(=O)NCc2cccnc2)CCCCC1
InChIInChI=1S/C20H23ClN4O2/c21-16-8-2-3-9-17(16)24-19(27)25-20(10-4-1-5-11-20)18(26)23-14-15-7-6-12-22-13-15/h2-3,6-9,12-13H,1,4-5,10-11,14H2,(H,23,26)(H2,24,25,27)
InChIKeyHXAREXXWDIDEPQ-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.88
Rot. Bonds5

About 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 6487903) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID6487903
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)NC1(C(=O)NCc2cccnc2)CCCCC1
InChIInChI=1S/C20H23ClN4O2/c21-16-8-2-3-9-17(16)24-19(27)25-20(10-4-1-5-11-20)18(26)23-14-15-7-6-12-22-13-15/h2-3,6-9,12-13H,1,4-5,10-11,14H2,(H,23,26)(H2,24,25,27)
InChIKeyHXAREXXWDIDEPQ-UHFFFAOYSA-N
XLogP3.88
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide (CID 6487903) is 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is O=C(Nc1ccccc1Cl)NC1(C(=O)NCc2cccnc2)CCCCC1.
What is the InChIKey of 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is HXAREXXWDIDEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-16-8-2-3-9-17(16)24-19(27)25-20(10-4-1-5-11-20)18(26)23-14-15-7-6-12-22-13-15/h2-3,6-9,12-13H,1,4-5,10-11,14H2,(H,23,26)(H2,24,25,27).
What are the key properties of 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide?
1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 6487903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).