2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide

C12H15N3O — CID 84574884

IUPAC2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cccnc1NC1CC1
InChIInChI=1S/C12H15N3O/c1-2-7-14-12(16)10-4-3-8-13-11(10)15-9-5-6-9/h2-4,8-9H,1,5-7H2,(H,13,15)(H,14,16)
InChIKeyFFRUWMKRIWKDOS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.57
Rot. Bonds5

About 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide

2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 84574884) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID84574884
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cccnc1NC1CC1
InChIInChI=1S/C12H15N3O/c1-2-7-14-12(16)10-4-3-8-13-11(10)15-9-5-6-9/h2-4,8-9H,1,5-7H2,(H,13,15)(H,14,16)
InChIKeyFFRUWMKRIWKDOS-UHFFFAOYSA-N
XLogP1.57
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.57
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

N-prop-2-enyl-2-(prop-2-enylamino)pyridine-3-carboxamide
CID 118705755
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
N-(4-bromophenyl)-2-[(1-prop-2-enylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133320105
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 84573642
2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 97319425
N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474918
2-fluoro-N-prop-2-enylbenzamide
CID 4125319
2-(cyclopropylamino)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84574316
N-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxamide
CID 134703000

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide (CID 84574884) is 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cccnc1NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is FFRUWMKRIWKDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-7-14-12(16)10-4-3-8-13-11(10)15-9-5-6-9/h2-4,8-9H,1,5-7H2,(H,13,15)(H,14,16).
What are the key properties of 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide?
2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 84574884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).