2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide

C12H18N2O2 — CID 115116349

IUPAC2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(C)C(=O)c1ccnc(CCO)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)14(3)12(16)10-4-6-13-11(8-10)5-7-15/h4,6,8-9,15H,5,7H2,1-3H3
InChIKeyAMJTZTCDPNUJCL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.10
Rot. Bonds4

About 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide

2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 115116349) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
PubChem CID115116349
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(C)C(=O)c1ccnc(CCO)c1
InChIInChI=1S/C12H18N2O2/c1-9(2)14(3)12(16)10-4-6-13-11(8-10)5-7-15/h4,6,8-9,15H,5,7H2,1-3H3
InChIKeyAMJTZTCDPNUJCL-UHFFFAOYSA-N
XLogP1.10
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50982712
N-(2-bromophenyl)-2-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 115116362
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 61293111
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
4-[butan-2-yl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730263
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 43430188
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide
CID 50980034
4-[methyl(pentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 112703111
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide (CID 115116349) is 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide is CC(C)N(C)C(=O)c1ccnc(CCO)c1.
What is the InChIKey of 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is AMJTZTCDPNUJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)14(3)12(16)10-4-6-13-11(8-10)5-7-15/h4,6,8-9,15H,5,7H2,1-3H3.
What are the key properties of 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide?
2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 115116349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).