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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Related Compounds

1-(2-Chlorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4426513
1-N-[(2S)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]amino]-4-(2,2-dimethylpropylamino)-1,4-dioxobutan-2-yl]-4-N-pyridin-3-ylpiperidine-1,4-dicarboxamide
CID 137656505
1-N-[(2S)-5-(tert-butylamino)-1-[[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxo-4-phenylbutan-2-yl]amino]-1,5-dioxopentan-2-yl]-4-N-pyridin-3-ylpiperidine-1,4-dicarboxamide
CID 162650375
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 4884349
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 15993317
N-[3-[(3-chlorobenzoyl)amino]cyclohexyl]pyridine-2-carboxamide
CID 71560945
1-(2-Chlorophenyl)-3-(pyridin-4-ylmethyl)urea
CID 306464
2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide
CID 4381127
4-chloro-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10253863
Benzeneacetamide,4-chloro-N-[1-[[(cyanoamino)[(2-methyl-3-pyridinyl)imino]methyl]amino]-2,2-dimethylpropyl]-
CID 11223687
4-(3-(2-chlorobenzyl)ureido)-N,N-diisopropyl-3-phenyl-2-(pyridin-3-yl)butanamide
CID 16068198
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437804

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).