5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide

C15H24ClN3O — CID 114922662

IUPAC5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(C)C(C)CC)c(Cl)cn1
InChIInChI=1S/C15H24ClN3O/c1-5-7-17-14-8-12(13(16)9-18-14)15(20)19-11(4)10(3)6-2/h8-11H,5-7H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyKQKDBTRRUNYWFY-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.72
Rot. Bonds7

About 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide

5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 114922662) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID114922662
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NC(C)C(C)CC)c(Cl)cn1
InChIInChI=1S/C15H24ClN3O/c1-5-7-17-14-8-12(13(16)9-18-14)15(20)19-11(4)10(3)6-2/h8-11H,5-7H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyKQKDBTRRUNYWFY-UHFFFAOYSA-N
XLogP3.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(5-methyl-2-pyridinyl)-2-(propylamino)pyridine-4-carboxamide
CID 114921617
5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923773
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-N-[2-(2-methoxyethoxy)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 114922629
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
5-chloro-N-(cyclohexylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922216
4-chloro-6-methyl-N-(3-methylpentan-2-yl)pyridine-3-carboxamide
CID 81226447
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
N-(5-amino-5-oxopentyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106241124
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106280116
5-chloro-2-(ethylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 114922691
5-chloro-2-(propylamino)-N-(2-sulfamoylethyl)pyridine-4-carboxamide
CID 114922305

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide (CID 114922662) is 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NC(C)C(C)CC)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is KQKDBTRRUNYWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-7-17-14-8-12(13(16)9-18-14)15(20)19-11(4)10(3)6-2/h8-11H,5-7H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide?
5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylpentan-2-yl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114922662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).