4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide

C13H19N3O — CID 162756422

IUPAC4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCNc1cc(C)ccn1
InChIInChI=1S/C13H19N3O/c1-3-7-16-13(17)5-4-8-14-12-10-11(2)6-9-15-12/h3,6,9-10H,1,4-5,7-8H2,2H3,(H,14,15)(H,16,17)
InChIKeyABKWYBCEPAGGPK-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.88
Rot. Bonds7

About 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide

4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide (PubChem CID 162756422) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide
PubChem CID162756422
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCNc1cc(C)ccn1
InChIInChI=1S/C13H19N3O/c1-3-7-16-13(17)5-4-8-14-12-10-11(2)6-9-15-12/h3,6,9-10H,1,4-5,7-8H2,2H3,(H,14,15)(H,16,17)
InChIKeyABKWYBCEPAGGPK-UHFFFAOYSA-N
XLogP1.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[(4-methyl-2-pyridinyl)amino]hexanoic acid
CID 18518012
(E,3S)-4-ethenyl-3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]hept-4-enoic acid
CID 142583454
methyl 5-[(4-methyl-2-pyridinyl)amino]pentanoate
CID 162756210
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
CID 109165269
(3S)-3-[4-(6-methylnaphthalen-2-yl)phenyl]-3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]propanoic acid
CID 161122198
methyl 3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-phenylphenyl)propanoate
CID 18518049
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
ethene;1-[3-(4-methylnaphthalen-1-yl)phenyl]propan-1-amine;4-[(4-methyl-2-pyridinyl)amino]-N-(2-oxoethyl)butanamide
CID 162756425
sodium 3-[4-(4-fluorophenyl)phenyl]-3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]propanoate
CID 70012355
6-acetamido-N-(4-methyl-2-pyridinyl)hexanamide
CID 47110680
3-[[2-[4-[(4-methyl-2-pyridinyl)amino]butanoylamino]acetyl]amino]-3-(4-nitrophenyl)propanoic acid
CID 18518066
CID 70012491
CID 70012491

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide?
The IUPAC name of 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide (CID 162756422) is 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide?
The canonical SMILES for 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide is C=CCNC(=O)CCCNc1cc(C)ccn1.
What is the InChIKey of 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide?
The InChIKey is ABKWYBCEPAGGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-7-16-13(17)5-4-8-14-12-10-11(2)6-9-15-12/h3,6,9-10H,1,4-5,7-8H2,2H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide?
4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide has a molecular weight of 233.31 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-pyridinyl)amino]-N-prop-2-enylbutanamide is sourced from PubChem (CID 162756422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).