2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide

C19H23ClN4O2 — CID 118778111

IUPAC2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)N(C)Cc2ccncc2C)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-4-8-22-18(25)16-6-5-15(10-17(16)20)23-19(26)24(3)12-14-7-9-21-11-13(14)2/h5-7,9-11H,4,8,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDYIJNLPOLYKCGT-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.85
Rot. Bonds6

About 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide

2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide (PubChem CID 118778111) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide
PubChem CID118778111
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)N(C)Cc2ccncc2C)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c1-4-8-22-18(25)16-6-5-15(10-17(16)20)23-19(26)24(3)12-14-7-9-21-11-13(14)2/h5-7,9-11H,4,8,12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyDYIJNLPOLYKCGT-UHFFFAOYSA-N
XLogP3.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-chloro-4-(propylcarbamoyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 122077547
3-(3,4-dichlorophenyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 24528577
3-(3-chloro-4-methylphenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 2476713
3-chloro-N-[2-(2-methylphenyl)ethyl]pyridine-4-carboxamide
CID 79079687
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
3-(3,4-dichlorophenyl)-1-[(2-fluorophenyl)methyl]-1-methylurea
CID 24528585
2-chloro-4-(dimethylcarbamoylamino)-N-(2-ethylpyrimidin-5-yl)benzamide
CID 138044558
2-chloro-4-(dimethylcarbamoylamino)-N-(2-thiophen-2-ylethyl)benzamide
CID 71912796
N-[3-chloro-4-(propylcarbamoyl)phenyl]-3,4-diethoxybenzamide
CID 60576494
2-chloro-N-propyl-4-(3-pyridin-2-ylpropylcarbamoylamino)benzamide
CID 72871559
N-[(3-methyl-4-pyridinyl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 114701819
N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 167913185

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide?
The IUPAC name of 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide (CID 118778111) is 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide?
The canonical SMILES for 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)N(C)Cc2ccncc2C)cc1Cl.
What is the InChIKey of 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide?
The InChIKey is DYIJNLPOLYKCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-4-8-22-18(25)16-6-5-15(10-17(16)20)23-19(26)24(3)12-14-7-9-21-11-13(14)2/h5-7,9-11H,4,8,12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide?
2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide has a molecular weight of 374.87 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[methyl-[(3-methyl-4-pyridinyl)methyl]carbamoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 118778111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).