N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide

C23H23N3O2 — CID 167605649

IUPACN-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccncc3)cn2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-4-23(28)26(3)19-6-7-20(16(2)13-19)21-8-5-18(15-25-21)22(27)14-17-9-11-24-12-10-17/h5-13,15H,4,14H2,1-3H3
InChIKeyACKHEEJGUWLNJK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.25
Rot. Bonds6

About N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide

N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide (PubChem CID 167605649) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
PubChem CID167605649
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccncc3)cn2)c(C)c1
InChIInChI=1S/C23H23N3O2/c1-4-23(28)26(3)19-6-7-20(16(2)13-19)21-8-5-18(15-25-21)22(27)14-17-9-11-24-12-10-17/h5-13,15H,4,14H2,1-3H3
InChIKeyACKHEEJGUWLNJK-UHFFFAOYSA-N
XLogP4.25
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide
CID 167646445
N-[3-fluoro-4-[5-[2-(1-methylpyrazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167663805
N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167606937
N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167538672
N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167544590
N-[3-fluoro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167654048
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
N-[3-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167701388
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
CID 167683267

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide?
The IUPAC name of N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide (CID 167605649) is N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide.
What is the SMILES notation for N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide?
The canonical SMILES for N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccncc3)cn2)c(C)c1.
What is the InChIKey of N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide?
The InChIKey is ACKHEEJGUWLNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-4-23(28)26(3)19-6-7-20(16(2)13-19)21-8-5-18(15-25-21)22(27)14-17-9-11-24-12-10-17/h5-13,15H,4,14H2,1-3H3.
What are the key properties of N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide?
N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide has a molecular weight of 373.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide is sourced from PubChem (CID 167605649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).