2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide

C13H17N3O — CID 114325556

IUPAC2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H17N3O/c1-3-7-16(8-4-2)13(17)11-5-6-15-12(9-11)10-14/h3-6,9H,1-2,7-8,10,14H2
InChIKeyBKIYZGMWJKETRR-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.35
Rot. Bonds6

About 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide

2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (PubChem CID 114325556) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
PubChem CID114325556
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H17N3O/c1-3-7-16(8-4-2)13(17)11-5-6-15-12(9-11)10-14/h3-6,9H,1-2,7-8,10,14H2
InChIKeyBKIYZGMWJKETRR-UHFFFAOYSA-N
XLogP1.35
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
2-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580497
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
2-(aminomethyl)pyridine-4-carboxamide;hydrochloride
CID 135395084
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
1-[2-(aminomethyl)-4-pyridinyl]-2-methylprop-2-en-1-one
CID 116601826
2-(dimethylamino)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 60580963

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide (CID 114325556) is 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is C=CCN(CC=C)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
The InChIKey is BKIYZGMWJKETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-7-16(8-4-2)13(17)11-5-6-15-12(9-11)10-14/h3-6,9H,1-2,7-8,10,14H2.
What are the key properties of 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide?
2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).