6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C22H22N4O2 — CID 164884723

IUPAC6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1
InChIInChI=1S/C22H22N4O2/c1-3-21(27)26(2)19-9-6-17(7-10-19)20-11-8-18(15-24-20)22(28)25-14-16-5-4-12-23-13-16/h4-13,15H,3,14H2,1-2H3,(H,25,28)
InChIKeyIFAXINKOCHDJMP-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.45
Rot. Bonds6

About 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 164884723) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID164884723
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1
InChIInChI=1S/C22H22N4O2/c1-3-21(27)26(2)19-9-6-17(7-10-19)20-11-8-18(15-24-20)22(28)25-14-16-5-4-12-23-13-16/h4-13,15H,3,14H2,1-2H3,(H,25,28)
InChIKeyIFAXINKOCHDJMP-UHFFFAOYSA-N
XLogP3.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
N-[(6-methoxy-3-pyridinyl)methyl]-6-[4-[methyl(propanoyl)amino]phenyl]pyridine-3-carboxamide
CID 164884754
4-[4-[ethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 153360723
4-[4-[2-hydroxyethyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 147449748
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
N-methyl-N-[4-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]phenyl]-1,3-oxazole-4-carboxamide
CID 153360818
N-[(5-fluoro-3-pyridinyl)methyl]-4-[4-[methyl(propanoyl)amino]phenyl]benzamide
CID 153360624
N-ethyl-6-pyridin-3-ylpyridine-3-carboxamide
CID 141194620
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884743

Frequently Asked Questions

What is the IUPAC name of 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 164884723) is 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1.
What is the InChIKey of 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IFAXINKOCHDJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-21(27)26(2)19-9-6-17(7-10-19)20-11-8-18(15-24-20)22(28)25-14-16-5-4-12-23-13-16/h4-13,15H,3,14H2,1-2H3,(H,25,28).
What are the key properties of 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 164884723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).