N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide

C21H21N3O — CID 110613065

IUPACN-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1cccnc1)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C21H21N3O/c25-21(12-4-7-18-8-5-13-22-15-18)24(20-10-2-1-3-11-20)17-19-9-6-14-23-16-19/h1-3,5-6,8-11,13-16H,4,7,12,17H2
InChIKeyMEYUOAUTSOXDEX-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.03
Rot. Bonds7

About N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide

N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 110613065) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound NameN-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID110613065
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCc1cccnc1)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C21H21N3O/c25-21(12-4-7-18-8-5-13-22-15-18)24(20-10-2-1-3-11-20)17-19-9-6-14-23-16-19/h1-3,5-6,8-11,13-16H,4,7,12,17H2
InChIKeyMEYUOAUTSOXDEX-UHFFFAOYSA-N
XLogP4.03
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110426389
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110426430
3-morpholin-4-ylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110618751
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
1-benzyl-1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 110706293
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpropanamide
CID 110360844
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide (CID 110613065) is N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCc1cccnc1)N(Cc1cccnc1)c1ccccc1.
What is the InChIKey of N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is MEYUOAUTSOXDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(12-4-7-18-8-5-13-22-15-18)24(20-10-2-1-3-11-20)17-19-9-6-14-23-16-19/h1-3,5-6,8-11,13-16H,4,7,12,17H2.
What are the key properties of N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide?
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 110613065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).