2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide

C15H21ClN2O2 — CID 103338650

IUPAC2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(CCOC)C(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C15H21ClN2O2/c1-5-6-18(7-8-20-4)15(19)12-9-13(11(2)3)17-14(16)10-12/h5,9-11H,1,6-8H2,2-4H3
InChIKeyATUMXQDJDNZODQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.13
Rot. Bonds7

About 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide

2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 103338650) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide
PubChem CID103338650
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(CCOC)C(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C15H21ClN2O2/c1-5-6-18(7-8-20-4)15(19)12-9-13(11(2)3)17-14(16)10-12/h5,9-11H,1,6-8H2,2-4H3
InChIKeyATUMXQDJDNZODQ-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.13
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-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379837
2-chloro-6-methoxy-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 84580756
2-chloro-N-ethyl-N-(2-hydroxyethyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379790
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339075
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055
3-amino-N-(2-methoxyethyl)-5-methylsulfonyl-N-prop-2-enylbenzamide
CID 103338340
2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379816
5-[2-methoxyethyl(prop-2-enyl)carbamoyl]pyridine-2-carboxylic acid
CID 103339943
2-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridine-3-carboxamide
CID 103338613

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide (CID 103338650) is 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide is C=CCN(CCOC)C(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is ATUMXQDJDNZODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-5-6-18(7-8-20-4)15(19)12-9-13(11(2)3)17-14(16)10-12/h5,9-11H,1,6-8H2,2-4H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide?
2-chloro-N-(2-methoxyethyl)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.13, 7 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)-6-propan-2-yl-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 103338650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).