2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide

C14H21ClFN3O — CID 103892256

IUPAC2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C14H21ClFN3O/c1-9(2)5-11(8-19(3)4)18-14(20)12-6-10(16)7-17-13(12)15/h6-7,9,11H,5,8H2,1-4H3,(H,18,20)
InChIKeyPHEDBJRHOZAOTF-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.58
Rot. Bonds6

About 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide

2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide (PubChem CID 103892256) has the molecular formula C14H21ClFN3O and a molecular weight of 301.79 g/mol. Its IUPAC name is 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
PubChem CID103892256
Molecular FormulaC14H21ClFN3O
Molecular Weight301.79 g/mol
Exact Mass301.14
IUPAC Name2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide
SMILESCC(C)CC(CN(C)C)NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C14H21ClFN3O/c1-9(2)5-11(8-19(3)4)18-14(20)12-6-10(16)7-17-13(12)15/h6-7,9,11H,5,8H2,1-4H3,(H,18,20)
InChIKeyPHEDBJRHOZAOTF-UHFFFAOYSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.58
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

(2R)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 114036625
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
5-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(methylamino)pyridine-4-carboxamide
CID 114922690
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
3-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 66484293
2-chloro-5-fluoro-N-(7-methyloctyl)pyridine-3-carboxamide
CID 103893182
2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 103892511
N-[1-(dimethylamino)-4-methylpentan-2-yl]-6-fluoropyridine-3-carboxamide
CID 63978149
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2,5-dimethylthiophene-3-carboxamide
CID 86994687
(2S)-2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114037285
2-[(2-chloro-5-fluoropyridine-3-carbonyl)amino]pentanoic acid
CID 114036486

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide (CID 103892256) is 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide is CC(C)CC(CN(C)C)NC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide?
The InChIKey is PHEDBJRHOZAOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN3O/c1-9(2)5-11(8-19(3)4)18-14(20)12-6-10(16)7-17-13(12)15/h6-7,9,11H,5,8H2,1-4H3,(H,18,20).
What are the key properties of 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide?
2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide has a molecular weight of 301.79 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(dimethylamino)-4-methylpentan-2-yl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103892256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).