2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide

C12H17ClN2O2 — CID 82948759

IUPAC2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCOCCN(C(=O)c1ccnc(Cl)c1)C(C)C
InChIInChI=1S/C12H17ClN2O2/c1-9(2)15(6-7-17-3)12(16)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyFDNAOOBBRLIZNN-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.23
Rot. Bonds5

About 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide

2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 82948759) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID82948759
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCOCCN(C(=O)c1ccnc(Cl)c1)C(C)C
InChIInChI=1S/C12H17ClN2O2/c1-9(2)15(6-7-17-3)12(16)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyFDNAOOBBRLIZNN-UHFFFAOYSA-N
XLogP2.23
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2S)-1-methoxypropan-2-yl]-N-methylpyridine-4-carboxamide
CID 51891752
2-chloro-6-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82960146
2-chloro-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 46988777
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60738646
4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82948658
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]pyridine-4-carboxylic acid
CID 82937508
5-chloro-6-(ethylamino)-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82960917
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82938027
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
CID 82942854
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 106752314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide (CID 82948759) is 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide is COCCN(C(=O)c1ccnc(Cl)c1)C(C)C.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is FDNAOOBBRLIZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-9(2)15(6-7-17-3)12(16)10-4-5-14-11(13)8-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide?
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 256.73 g/mol, XLogP of 2.23, 5 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-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 82948759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).