3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide

C19H22ClN3O3 — CID 86924803

IUPAC3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(C(CC(=O)N(C)Cc2ccc(Cl)nc2)NC(C)=O)cc1
InChIInChI=1S/C19H22ClN3O3/c1-13(24)22-17(15-5-7-16(26-3)8-6-15)10-19(25)23(2)12-14-4-9-18(20)21-11-14/h4-9,11,17H,10,12H2,1-3H3,(H,22,24)
InChIKeyMSULZAMIRQWWSX-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.97
Rot. Bonds7

About 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide

3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide (PubChem CID 86924803) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
PubChem CID86924803
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
SMILESCOc1ccc(C(CC(=O)N(C)Cc2ccc(Cl)nc2)NC(C)=O)cc1
InChIInChI=1S/C19H22ClN3O3/c1-13(24)22-17(15-5-7-16(26-3)8-6-15)10-19(25)23(2)12-14-4-9-18(20)21-11-14/h4-9,11,17H,10,12H2,1-3H3,(H,22,24)
InChIKeyMSULZAMIRQWWSX-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78804503
(3R)-3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 34470758
3-acetamido-3-(4-chlorophenyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51196023
3-acetamido-N-benzyl-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 134012020
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 134054363
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
N-[(6-chloro-3-pyridinyl)methyl]-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 78863654
3-acetamido-3-(4-chlorophenyl)-N-(4-methoxyphenyl)propanamide
CID 46689011
3-acetamido-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 55387919
3-acetamido-3-(4-methoxyphenyl)-N-methyl-N-(1-thiophen-2-ylethyl)propanamide
CID 86912332
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The IUPAC name of 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide (CID 86924803) is 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The canonical SMILES for 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide is COc1ccc(C(CC(=O)N(C)Cc2ccc(Cl)nc2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
The InChIKey is MSULZAMIRQWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13(24)22-17(15-5-7-16(26-3)8-6-15)10-19(25)23(2)12-14-4-9-18(20)21-11-14/h4-9,11,17H,10,12H2,1-3H3,(H,22,24).
What are the key properties of 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide?
3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide has a molecular weight of 375.86 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(6-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 86924803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).