N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide

C14H22FN3O — CID 63980515

IUPACN-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1ccc(F)nc1)N(C)C
InChIInChI=1S/C14H22FN3O/c1-10(2)7-12(18(3)4)9-17-14(19)11-5-6-13(15)16-8-11/h5-6,8,10,12H,7,9H2,1-4H3,(H,17,19)
InChIKeyKXNMZYWXKUUFKO-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.93
Rot. Bonds6

About N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide

N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide (PubChem CID 63980515) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
PubChem CID63980515
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
SMILESCC(C)CC(CNC(=O)c1ccc(F)nc1)N(C)C
InChIInChI=1S/C14H22FN3O/c1-10(2)7-12(18(3)4)9-17-14(19)11-5-6-13(15)16-8-11/h5-6,8,10,12H,7,9H2,1-4H3,(H,17,19)
InChIKeyKXNMZYWXKUUFKO-UHFFFAOYSA-N
XLogP1.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
6-fluoro-N-(2-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 115746110
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
6-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
6-fluoro-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 63979376
6-fluoro-N-[2-(2-methylpropoxy)ethyl]pyridine-3-carboxamide
CID 115627193
5-bromo-2-chloro-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 62000661
6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63979148
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]pyridine-3-carboxamide
CID 113255712

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide (CID 63980515) is N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide is CC(C)CC(CNC(=O)c1ccc(F)nc1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is KXNMZYWXKUUFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(2)7-12(18(3)4)9-17-14(19)11-5-6-13(15)16-8-11/h5-6,8,10,12H,7,9H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide?
N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63980515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).