4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide

C19H23ClN4O2 — CID 74251520

IUPAC4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(C)NC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cn1
InChIInChI=1S/C19H23ClN4O2/c1-11(2)22-18(25)14-7-8-16(20)17(9-14)24-19(26)23-13(4)15-6-5-12(3)21-10-15/h5-11,13H,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyZBNJVOYCILLHOF-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.06
Rot. Bonds5

About 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide

4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide (PubChem CID 74251520) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide
PubChem CID74251520
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide
SMILESCc1ccc(C(C)NC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cn1
InChIInChI=1S/C19H23ClN4O2/c1-11(2)22-18(25)14-7-8-16(20)17(9-14)24-19(26)23-13(4)15-6-5-12(3)21-10-15/h5-11,13H,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyZBNJVOYCILLHOF-UHFFFAOYSA-N
XLogP4.06
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-6-methylpyridine-2-carboxamide
CID 60532137
3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 126452473
4-chloro-3-[(4-methylsulfanylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 87026803
N-[(1S)-1-(6-methyl-3-pyridinyl)ethyl]acetamide
CID 100987523
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
4-chloro-3-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamoyl]amino]-N-propan-2-ylbenzamide
CID 118777637
4-chloro-3-[3-(3,5-dimethylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 52662482
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 43554965
4-chloro-3-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 47049795
3-[2-(4-tert-butylphenoxy)propanoylamino]-4-chloro-N-propan-2-ylbenzamide
CID 55896073
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
4-chloro-3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-N-propan-2-ylbenzamide
CID 47062886

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide (CID 74251520) is 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide is Cc1ccc(C(C)NC(=O)Nc2cc(C(=O)NC(C)C)ccc2Cl)cn1.
What is the InChIKey of 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide?
The InChIKey is ZBNJVOYCILLHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-11(2)22-18(25)14-7-8-16(20)17(9-14)24-19(26)23-13(4)15-6-5-12(3)21-10-15/h5-11,13H,1-4H3,(H,22,25)(H2,23,24,26).
What are the key properties of 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide?
4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide has a molecular weight of 374.87 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 74251520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).