4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide

C21H21N3O — CID 71993129

IUPAC4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide
SMILESO=C(CCCc1ccccn1)NCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C21H21N3O/c25-21(8-3-7-20-6-1-2-14-23-20)24-15-17-9-11-18(12-10-17)19-5-4-13-22-16-19/h1-2,4-6,9-14,16H,3,7-8,15H2,(H,24,25)
InChIKeyPBBOHIOYXAYRRI-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.78
Rot. Bonds7

About 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide

4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide (PubChem CID 71993129) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide
PubChem CID71993129
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide
SMILESO=C(CCCc1ccccn1)NCc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C21H21N3O/c25-21(8-3-7-20-6-1-2-14-23-20)24-15-17-9-11-18(12-10-17)19-5-4-13-22-16-19/h1-2,4-6,9-14,16H,3,7-8,15H2,(H,24,25)
InChIKeyPBBOHIOYXAYRRI-UHFFFAOYSA-N
XLogP3.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
CID 81485528
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
CID 78981080
N-methyl-3-(4-pyridin-3-ylphenyl)propanamide
CID 58452186
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
N-(2-pyridin-2-ylethyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46469135
ethane;3-[4-[[4-(1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzamide
CID 169205451
3-[4-(4-pyridin-3-ylphenyl)phenyl]propanoic acid
CID 171697660
3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182119

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide?
The IUPAC name of 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide (CID 71993129) is 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide is O=C(CCCc1ccccn1)NCc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide?
The InChIKey is PBBOHIOYXAYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(8-3-7-20-6-1-2-14-23-20)24-15-17-9-11-18(12-10-17)19-5-4-13-22-16-19/h1-2,4-6,9-14,16H,3,7-8,15H2,(H,24,25).
What are the key properties of 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide?
4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide has a molecular weight of 331.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-N-[(4-pyridin-3-ylphenyl)methyl]butanamide is sourced from PubChem (CID 71993129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).