5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide

C19H24N4O — CID 109224099

IUPAC5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(Nc2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C19H24N4O/c1-4-11-21-19(24)15-12-17(14-20-13-15)22-16-7-9-18(10-8-16)23(5-2)6-3/h4,7-10,12-14,22H,1,5-6,11H2,2-3H3,(H,21,24)
InChIKeyOYOQDNWPGJSDEP-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.59
Rot. Bonds8

About 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide

5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 109224099) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID109224099
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cncc(Nc2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C19H24N4O/c1-4-11-21-19(24)15-12-17(14-20-13-15)22-16-7-9-18(10-8-16)23(5-2)6-3/h4,7-10,12-14,22H,1,5-6,11H2,2-3H3,(H,21,24)
InChIKeyOYOQDNWPGJSDEP-UHFFFAOYSA-N
XLogP3.59
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224039
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242816
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
[5-[4-(diethylamino)anilino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230532
5-(2-bromo-4-methylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224111
5-(2-propan-2-ylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224053
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894
5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109229882
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
N-[4-(diethylamino)phenyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232722

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide (CID 109224099) is 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cncc(Nc2ccc(N(CC)CC)cc2)c1.
What is the InChIKey of 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is OYOQDNWPGJSDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-4-11-21-19(24)15-12-17(14-20-13-15)22-16-7-9-18(10-8-16)23(5-2)6-3/h4,7-10,12-14,22H,1,5-6,11H2,2-3H3,(H,21,24).
What are the key properties of 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide?
5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 109224099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).