4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide

C12H17ClN2O — CID 81225564

IUPAC4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
SMILESCCCN(C(=O)c1cnccc1Cl)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-4-7-15(9(2)3)12(16)10-8-14-6-5-11(10)13/h5-6,8-9H,4,7H2,1-3H3
InChIKeyGIIVVGYRRGMKQK-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.00
Rot. Bonds4

About 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide

4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide (PubChem CID 81225564) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
PubChem CID81225564
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
SMILESCCCN(C(=O)c1cnccc1Cl)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-4-7-15(9(2)3)12(16)10-8-14-6-5-11(10)13/h5-6,8-9H,4,7H2,1-3H3
InChIKeyGIIVVGYRRGMKQK-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82948658
4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81226871
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108
4-chloro-6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225563
4-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81240413
4-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81255743
3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 66484592
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
5-chloro-2-(ethylamino)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 114922169
4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide (CID 81225564) is 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide is CCCN(C(=O)c1cnccc1Cl)C(C)C.
What is the InChIKey of 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide?
The InChIKey is GIIVVGYRRGMKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-7-15(9(2)3)12(16)10-8-14-6-5-11(10)13/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide?
4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide has a molecular weight of 240.73 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 81225564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).