N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide

C14H21N3O2 — CID 108947636

IUPACN-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)NCc1cccnc1
InChIInChI=1S/C14H21N3O2/c1-11(2)5-7-16-13(18)8-14(19)17-10-12-4-3-6-15-9-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYPNSJFVOETYPKQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.25
Rot. Bonds7

About N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide

N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide (PubChem CID 108947636) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
PubChem CID108947636
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)NCc1cccnc1
InChIInChI=1S/C14H21N3O2/c1-11(2)5-7-16-13(18)8-14(19)17-10-12-4-3-6-15-9-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYPNSJFVOETYPKQ-UHFFFAOYSA-N
XLogP1.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023656
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-(3-methylbutyl)acetamide
CID 5128597
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
3-[2,6-di(propan-2-yl)anilino]-N-(pyridin-3-ylmethyl)propanamide
CID 109023591
2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 119860192
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide?
The IUPAC name of N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide (CID 108947636) is N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide.
What is the SMILES notation for N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide?
The canonical SMILES for N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide is CC(C)CCNC(=O)CC(=O)NCc1cccnc1.
What is the InChIKey of N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide?
The InChIKey is YPNSJFVOETYPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)5-7-16-13(18)8-14(19)17-10-12-4-3-6-15-9-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide?
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide has a molecular weight of 263.34 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide is sourced from PubChem (CID 108947636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).