N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide

C14H22FN3O — CID 63978149

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

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide (PubChem CID 63978149) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
PubChem CID63978149
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1ccc(F)nc1
InChIInChI=1S/C14H22FN3O/c1-10(2)7-12(9-18(3)4)17-14(19)11-5-6-13(15)16-8-11/h5-6,8,10,12H,7,9H2,1-4H3,(H,17,19)
InChIKeyNSPOJQSNDNHFQJ-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-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 63977631
N-[2-(dimethylamino)-4-methylpentyl]-6-fluoropyridine-3-carboxamide
CID 63980515
N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-(ethylamino)benzamide
CID 62181781
3-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylbenzamide
CID 81472392
2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
CID 103892256
3,5-dibromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 107980196
N-(1-ethoxypropan-2-yl)-6-fluoropyridine-3-carboxamide
CID 63977834
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 75392728
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
N-(4-amino-4-oxobutan-2-yl)-6-fluoropyridine-3-carboxamide
CID 115674679
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998097

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide (CID 63978149) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide is CC(C)CC(CN(C)C)NC(=O)c1ccc(F)nc1.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide?
The InChIKey is NSPOJQSNDNHFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(2)7-12(9-18(3)4)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-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-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-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 63978149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).