2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide

C12H15ClN2O2 — CID 103338613

IUPAC2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(CCOC)C(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-3-7-15(8-9-17-2)12(16)10-5-4-6-14-11(10)13/h3-6H,1,7-9H2,2H3
InChIKeyYKKVYOCYJPNBCA-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.01
Rot. Bonds6

About 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide

2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 103338613) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID103338613
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCN(CCOC)C(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-3-7-15(8-9-17-2)12(16)10-5-4-6-14-11(10)13/h3-6H,1,7-9H2,2H3
InChIKeyYKKVYOCYJPNBCA-UHFFFAOYSA-N
XLogP2.01
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-pent-4-enyl-N-prop-2-enylpyridine-3-carboxamide
CID 15439964
2-chloro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 61052507
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339639
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 60646068
N-(2-methoxyethyl)-N-prop-2-enyl-2-(propylamino)benzamide
CID 103339638
2-bromo-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 103751770
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 113255190
N-(2-methoxyethyl)-N-prop-2-enylthiophene-2-carboxamide
CID 103340492
2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloro-N-methoxy-N-methylpyridine-3-carboxamide
CID 10236076
5-bromo-2-iodo-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103528752

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide (CID 103338613) is 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide is C=CCN(CCOC)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is YKKVYOCYJPNBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-3-7-15(8-9-17-2)12(16)10-5-4-6-14-11(10)13/h3-6H,1,7-9H2,2H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide?
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 103338613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).