4-pyridin-3-yl-4-pyridin-4-ylbutanamide

C14H15N3O — CID 174955262

IUPAC4-pyridin-3-yl-4-pyridin-4-ylbutanamide
SMILESNC(=O)CCC(c1ccncc1)c1cccnc1
InChIInChI=1S/C14H15N3O/c15-14(18)4-3-13(11-5-8-16-9-6-11)12-2-1-7-17-10-12/h1-2,5-10,13H,3-4H2,(H2,15,18)
InChIKeyJCRUQWPRSLAZDQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.87
Rot. Bonds5

About 4-pyridin-3-yl-4-pyridin-4-ylbutanamide

4-pyridin-3-yl-4-pyridin-4-ylbutanamide (PubChem CID 174955262) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-pyridin-3-yl-4-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-pyridin-3-yl-4-pyridin-4-ylbutanamide
PubChem CID174955262
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-pyridin-3-yl-4-pyridin-4-ylbutanamide
SMILESNC(=O)CCC(c1ccncc1)c1cccnc1
InChIInChI=1S/C14H15N3O/c15-14(18)4-3-13(11-5-8-16-9-6-11)12-2-1-7-17-10-12/h1-2,5-10,13H,3-4H2,(H2,15,18)
InChIKeyJCRUQWPRSLAZDQ-UHFFFAOYSA-N
XLogP1.87
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

11-phenyl-11-pyridin-3-ylundecan-2-one
CID 22444310
5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-5-pyridin-3-ylpentanamide
CID 118946304
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775
2,2-dipyridin-3-ylethanol
CID 57450821
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
CID 118946294
5-(2-methyl-4-pyridinyl)-5-phenylpentanamide
CID 67314467
3-oxo-2-pyridin-3-ylbutanamide
CID 166794153

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-4-pyridin-4-ylbutanamide?
The IUPAC name of 4-pyridin-3-yl-4-pyridin-4-ylbutanamide (CID 174955262) is 4-pyridin-3-yl-4-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-pyridin-3-yl-4-pyridin-4-ylbutanamide?
The canonical SMILES for 4-pyridin-3-yl-4-pyridin-4-ylbutanamide is NC(=O)CCC(c1ccncc1)c1cccnc1.
What is the InChIKey of 4-pyridin-3-yl-4-pyridin-4-ylbutanamide?
The InChIKey is JCRUQWPRSLAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-14(18)4-3-13(11-5-8-16-9-6-11)12-2-1-7-17-10-12/h1-2,5-10,13H,3-4H2,(H2,15,18).
What are the key properties of 4-pyridin-3-yl-4-pyridin-4-ylbutanamide?
4-pyridin-3-yl-4-pyridin-4-ylbutanamide has a molecular weight of 241.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-4-pyridin-4-ylbutanamide is sourced from PubChem (CID 174955262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).