N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide

C12H15N3O — CID 118705755

IUPACN-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cccnc1NCC=C
InChIInChI=1S/C12H15N3O/c1-3-7-13-11-10(6-5-9-14-11)12(16)15-8-4-2/h3-6,9H,1-2,7-8H2,(H,13,14)(H,15,16)
InChIKeyQNKRCGAFGBDNLN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.60
Rot. Bonds6

About N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide

N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide (PubChem CID 118705755) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide
PubChem CID118705755
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cccnc1NCC=C
InChIInChI=1S/C12H15N3O/c1-3-7-13-11-10(6-5-9-14-11)12(16)15-8-4-2/h3-6,9H,1-2,7-8H2,(H,13,14)(H,15,16)
InChIKeyQNKRCGAFGBDNLN-UHFFFAOYSA-N
XLogP1.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 84574884
N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474918
2,3-dihydroxy-N-prop-2-enylbenzamide
CID 67915131
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
3-methylsulfonyl-N-prop-2-enylpyridin-2-amine
CID 114598823
2-methylsulfonyl-N-prop-2-enylbenzamide
CID 31301978
2-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 62168328
N-(2,2-dimethylpropyl)-2-(methylamino)pyridine-3-carboxamide
CID 62181506
N-prop-2-enyl-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295911
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
N-(2,2-dimethylpropyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237892

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide?
The IUPAC name of N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide (CID 118705755) is N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide?
The canonical SMILES for N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide is C=CCNC(=O)c1cccnc1NCC=C.
What is the InChIKey of N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide?
The InChIKey is QNKRCGAFGBDNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-7-13-11-10(6-5-9-14-11)12(16)15-8-4-2/h3-6,9H,1-2,7-8H2,(H,13,14)(H,15,16).
What are the key properties of N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide?
N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118705755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).