3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

C19H22ClN3O3 — CID 113120522

IUPAC3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCN(Cc1cccnc1)C(C)=O
InChIInChI=1S/C19H22ClN3O3/c1-13-9-17(18(26-3)10-16(13)20)22-19(25)6-8-23(14(2)24)12-15-5-4-7-21-11-15/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,22,25)
InChIKeyZKVKLSJKITVBHV-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.43
Rot. Bonds7

About 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (PubChem CID 113120522) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
PubChem CID113120522
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCN(Cc1cccnc1)C(C)=O
InChIInChI=1S/C19H22ClN3O3/c1-13-9-17(18(26-3)10-16(13)20)22-19(25)6-8-23(14(2)24)12-15-5-4-7-21-11-15/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,22,25)
InChIKeyZKVKLSJKITVBHV-UHFFFAOYSA-N
XLogP3.43
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113118705
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113120459
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
CID 113120428
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-methoxyphenyl)propanamide
CID 113120467
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113124622
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113163672
3-[acetyl(benzyl)amino]-N-(3-methyl-4-pyridinyl)propanamide
CID 56783118
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 113120669
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (CID 113120522) is 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCN(Cc1cccnc1)C(C)=O.
What is the InChIKey of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The InChIKey is ZKVKLSJKITVBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-9-17(18(26-3)10-16(13)20)22-19(25)6-8-23(14(2)24)12-15-5-4-7-21-11-15/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,22,25).
What are the key properties of 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide has a molecular weight of 375.86 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113120522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).