N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide

C19H20ClN3O2 — CID 167199889

IUPACN-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(N(CC3CC3)C(C)=O)c(Cl)c2)nc1
InChIInChI=1S/C19H20ClN3O2/c1-12(24)22-16-6-7-18(21-10-16)15-5-8-19(17(20)9-15)23(13(2)25)11-14-3-4-14/h5-10,14H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyODGGFCVDDMHJET-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.12
Rot. Bonds5

About N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide

N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide (PubChem CID 167199889) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide
PubChem CID167199889
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(N(CC3CC3)C(C)=O)c(Cl)c2)nc1
InChIInChI=1S/C19H20ClN3O2/c1-12(24)22-16-6-7-18(21-10-16)15-5-8-19(17(20)9-15)23(13(2)25)11-14-3-4-14/h5-10,14H,3-4,11H2,1-2H3,(H,22,24)
InChIKeyODGGFCVDDMHJET-UHFFFAOYSA-N
XLogP4.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-pyridinyl)-2-phenylbutanamide
CID 11839529
N-(4-chloro-2,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 16094671
2-(4-pyridin-2-ylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 16094672
N-(2-chloro-6-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide
CID 44418747
N-(3-chlorobenzyl)-2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamide
CID 51003505
N-(2-chloropyridin-3-yl)-3-phenylpropanamide
CID 931231
2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
CID 89468951
2-{3-[(3-Chlorophenyl)methyl]-2-oxoimidazolidin-1-YL}-N-[(pyridin-2-YL)methyl]acetamide
CID 9550786
(E)-N-(2-chloropyridin-3-yl)-3-phenylprop-2-enamide
CID 931213
1-(3-chloro-4-methylphenyl)-5-oxo-N-(pyridin-3-yl)pyrrolidine-3-carboxamide
CID 6462081
(RS)-1-(6-chloro-pyridin-3-yl)-3-(2-chloro-4-pyrrolidin-3-yl-phenyl)-urea
CID 71499119
1-(2-Chloro-4-piperidin-3-ylphenyl)-3-(6-chloro-3-pyridinyl)urea
CID 89262037

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide (CID 167199889) is N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc(N(CC3CC3)C(C)=O)c(Cl)c2)nc1.
What is the InChIKey of N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide?
The InChIKey is ODGGFCVDDMHJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-12(24)22-16-6-7-18(21-10-16)15-5-8-19(17(20)9-15)23(13(2)25)11-14-3-4-14/h5-10,14H,3-4,11H2,1-2H3,(H,22,24).
What are the key properties of N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide?
N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide has a molecular weight of 357.84 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 167199889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).