3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide

C26H35N5O3 — CID 142686227

IUPAC3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide
SMILESNc1cccc(C(=O)NOCC2CCCC2)c1Cc1ccnc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H35N5O3/c27-23-12-6-11-21(25(32)31-34-17-18-7-4-5-8-18)22(23)15-19-13-14-28-24(16-19)30-26(33)29-20-9-2-1-3-10-20/h6,11-14,16,18,20H,1-5,7-10,15,17,27H2,(H,31,32)(H2,28,29,30,33)
InChIKeyGLNDIXIIABMNBA-UHFFFAOYSA-N
MW465.60 g/mol
LogP4.56
Rot. Bonds8

About 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide

3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide (PubChem CID 142686227) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide
PubChem CID142686227
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide
SMILESNc1cccc(C(=O)NOCC2CCCC2)c1Cc1ccnc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C26H35N5O3/c27-23-12-6-11-21(25(32)31-34-17-18-7-4-5-8-18)22(23)15-19-13-14-28-24(16-19)30-26(33)29-20-9-2-1-3-10-20/h6,11-14,16,18,20H,1-5,7-10,15,17,27H2,(H,31,32)(H2,28,29,30,33)
InChIKeyGLNDIXIIABMNBA-UHFFFAOYSA-N
XLogP4.56
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethoxy)-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
CID 44553345
N-(cyclopentylmethoxy)-2-[[2-(methylcarbamothioylamino)-4-pyridinyl]methylamino]benzamide
CID 44553843
N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 149254025
1-cyclopropyl-3-[4-(methylaminomethyl)-2-pyridinyl]urea
CID 142344622
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
1-(4-bromo-2-pyridinyl)-3-cyclopentylurea
CID 108902777
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
N-(cyclopentylmethoxy)-2-[[2-[methylcarbamoyl(sulfanyl)amino]-4-pyridinyl]methylamino]benzamide
CID 87281685
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
2-[(6-amino-3-pyridinyl)methylamino]-N-(cyclopentylmethoxy)benzamide
CID 87282068
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
1-cyclopropyl-3-(4-methyl-2-pyridinyl)urea
CID 108887621

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide?
The IUPAC name of 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide (CID 142686227) is 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide.
What is the SMILES notation for 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide?
The canonical SMILES for 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide is Nc1cccc(C(=O)NOCC2CCCC2)c1Cc1ccnc(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide?
The InChIKey is GLNDIXIIABMNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c27-23-12-6-11-21(25(32)31-34-17-18-7-4-5-8-18)22(23)15-19-13-14-28-24(16-19)30-26(33)29-20-9-2-1-3-10-20/h6,11-14,16,18,20H,1-5,7-10,15,17,27H2,(H,31,32)(H2,28,29,30,33).
What are the key properties of 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide?
3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide has a molecular weight of 465.60 g/mol, XLogP of 4.56, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[[2-(cyclohexylcarbamoylamino)-4-pyridinyl]methyl]-N-(cyclopentylmethoxy)benzamide is sourced from PubChem (CID 142686227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).