N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide

C21H22N4O — CID 144544551

IUPACN-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide
SMILESCCCN(C)c1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)nc1
InChIInChI=1S/C21H22N4O/c1-3-14-25(2)18-11-12-20(23-15-18)24-21(26)17-9-7-16(8-10-17)19-6-4-5-13-22-19/h4-13,15H,3,14H2,1-2H3,(H,23,24,26)
InChIKeyNIDFEVBQOSDPAT-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.24
Rot. Bonds6

About N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide

N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide (PubChem CID 144544551) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide
PubChem CID144544551
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide
SMILESCCCN(C)c1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)nc1
InChIInChI=1S/C21H22N4O/c1-3-14-25(2)18-11-12-20(23-15-18)24-21(26)17-9-7-16(8-10-17)19-6-4-5-13-22-19/h4-13,15H,3,14H2,1-2H3,(H,23,24,26)
InChIKeyNIDFEVBQOSDPAT-UHFFFAOYSA-N
XLogP4.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[2-(dimethylamino)ethyl-methylamino]-2-pyridinyl]benzamide
CID 175915827
N-[5-[4-(dimethylamino)phenyl]pyrazin-2-yl]benzamide
CID 102042106
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841
5-hydroxy-N-(5-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide
CID 75435832
N-(2-amino-5-pyridin-2-ylphenyl)-4-[(dimethylamino)methyl]benzamide
CID 126722801
N-propan-2-yl-4-pyridin-2-ylbenzamide
CID 59672619
N-(5-pyridin-2-ylpyrazin-2-yl)benzamide
CID 137408648
N-[5-[butyl(methyl)amino]-2-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113030554
N-(5-chloro-2-pyridinyl)-4-(5-propyl-2-pyridinyl)benzamide
CID 23740078
N-[5-(dibutylamino)-2-pyridinyl]-3-ethylbenzamide
CID 164526063
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide?
The IUPAC name of N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide (CID 144544551) is N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide?
The canonical SMILES for N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide is CCCN(C)c1ccc(NC(=O)c2ccc(-c3ccccn3)cc2)nc1.
What is the InChIKey of N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide?
The InChIKey is NIDFEVBQOSDPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-3-14-25(2)18-11-12-20(23-15-18)24-21(26)17-9-7-16(8-10-17)19-6-4-5-13-22-19/h4-13,15H,3,14H2,1-2H3,(H,23,24,26).
What are the key properties of N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide?
N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl(propyl)amino]-2-pyridinyl]-4-pyridin-2-ylbenzamide is sourced from PubChem (CID 144544551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).