2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide

C23H31N5O3 — CID 69208380

IUPAC2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide
SMILESCNC(=O)Nc1ccc(-c2c(C)ccc(C(N)=O)c2CCC2CCCC2)cn1.NC=O
InChIInChI=1S/C22H28N4O2.CH3NO/c1-14-7-10-18(21(23)27)17(11-8-15-5-3-4-6-15)20(14)16-9-12-19(25-13-16)26-22(28)24-2;2-1-3/h7,9-10,12-13,15H,3-6,8,11H2,1-2H3,(H2,23,27)(H2,24,25,26,28);1H,(H2,2,3)
InChIKeyALZHLLBYCITJKG-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.13
Rot. Bonds6

About 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide

2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide (PubChem CID 69208380) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide
PubChem CID69208380
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide
SMILESCNC(=O)Nc1ccc(-c2c(C)ccc(C(N)=O)c2CCC2CCCC2)cn1.NC=O
InChIInChI=1S/C22H28N4O2.CH3NO/c1-14-7-10-18(21(23)27)17(11-8-15-5-3-4-6-15)20(14)16-9-12-19(25-13-16)26-22(28)24-2;2-1-3/h7,9-10,12-13,15H,3-6,8,11H2,1-2H3,(H2,23,27)(H2,24,25,26,28);1H,(H2,2,3)
InChIKeyALZHLLBYCITJKG-UHFFFAOYSA-N
XLogP3.13
TPSA140.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide
CID 69208381
2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide
CID 87748702
2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
CID 69162594
1-(cyclohexylmethyl)-3-(5-methyl-2-pyridinyl)urea
CID 108903057
N-(5-amino-4-methyl-2-pyridinyl)-3-cyclohexylpropanamide
CID 61293878
1-(4,5-dimethyl-2-pyridinyl)-3-methylurea
CID 177139787
4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
CID 70687942
1-N-(2-cyclopentylethyl)-3-N-(6-formamido-3-pyridinyl)-4-methylbenzene-1,3-dicarboxamide
CID 143414159
1-cyclohexyl-3-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]urea
CID 113026734
2-cyclohexyl-N-[6-(methylamino)-3-pyridinyl]acetamide
CID 115274700
1-[5-[(E)-1-(4-fluoro-2-methylphenyl)pent-1-enyl]-2-pyridinyl]-3-methylurea
CID 144902147
N-(4-bromo-2-pyridinyl)-4-cyclopentylbutanamide
CID 115274320

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide?
The IUPAC name of 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide (CID 69208380) is 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide.
What is the SMILES notation for 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide?
The canonical SMILES for 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide is CNC(=O)Nc1ccc(-c2c(C)ccc(C(N)=O)c2CCC2CCCC2)cn1.NC=O.
What is the InChIKey of 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide?
The InChIKey is ALZHLLBYCITJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.CH3NO/c1-14-7-10-18(21(23)27)17(11-8-15-5-3-4-6-15)20(14)16-9-12-19(25-13-16)26-22(28)24-2;2-1-3/h7,9-10,12-13,15H,3-6,8,11H2,1-2H3,(H2,23,27)(H2,24,25,26,28);1H,(H2,2,3).
What are the key properties of 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide?
2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide has a molecular weight of 425.53 g/mol, XLogP of 3.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide is sourced from PubChem (CID 69208380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).