N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide

C14H22N2O — CID 50968595

IUPACN-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCCC(=O)N(Cc1ccncc1)C(C)CC
InChIInChI=1S/C14H22N2O/c1-4-6-14(17)16(12(3)5-2)11-13-7-9-15-10-8-13/h7-10,12H,4-6,11H2,1-3H3
InChIKeyAXFVGSDHETTXAQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.01
Rot. Bonds6

About N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide

N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 50968595) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID50968595
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCCC(=O)N(Cc1ccncc1)C(C)CC
InChIInChI=1S/C14H22N2O/c1-4-6-14(17)16(12(3)5-2)11-13-7-9-15-10-8-13/h7-10,12H,4-6,11H2,1-3H3
InChIKeyAXFVGSDHETTXAQ-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cotinine
CID 854019
Milrinone
CID 4197
Amrinone
CID 3698
N,N-Diethylnicotinamide
CID 5497
Isonicotinamide
CID 15074
(+-)-Cotinine
CID 408
4-Ethylpyridine
CID 10822
4-(2-Pyrrolidinoethyl)pyridine
CID 238432
4-[2-(1-Piperidinyl)ethyl]pyridine
CID 83476
cotinine N-oxide
CID 9815514
N-[(6-chloropyridin-3-yl)methyl]-N-methylacetamide
CID 59843549
Dimethyl-pyridin-3-ylmethyl-amine
CID 7330459

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide (CID 50968595) is N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide is CCCC(=O)N(Cc1ccncc1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is AXFVGSDHETTXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-6-14(17)16(12(3)5-2)11-13-7-9-15-10-8-13/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide?
N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 234.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 50968595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).