4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide

C13H19ClN2O — CID 81226871

IUPAC4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CN(C(=O)c1cnccc1Cl)C(C)C
InChIInChI=1S/C13H19ClN2O/c1-9(2)8-16(10(3)4)13(17)11-7-15-6-5-12(11)14/h5-7,9-10H,8H2,1-4H3
InChIKeyLOKNSPXWRABAQH-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.24
Rot. Bonds4

About 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide

4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 81226871) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID81226871
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CN(C(=O)c1cnccc1Cl)C(C)C
InChIInChI=1S/C13H19ClN2O/c1-9(2)8-16(10(3)4)13(17)11-7-15-6-5-12(11)14/h5-7,9-10H,8H2,1-4H3
InChIKeyLOKNSPXWRABAQH-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81240604
4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225564
4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82948658
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
CID 119730930
N-(2-amino-2-hydroxyiminoethyl)-3-chloro-N-propan-2-ylpyridine-4-carboxamide
CID 77135187
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403
6-amino-5-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 62185664
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
4-chloro-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 81225414
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
3-chloro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide
CID 106609608

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide (CID 81226871) is 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide is CC(C)CN(C(=O)c1cnccc1Cl)C(C)C.
What is the InChIKey of 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LOKNSPXWRABAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-9(2)8-16(10(3)4)13(17)11-7-15-6-5-12(11)14/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 254.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 81226871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).