2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

C14H20ClN3O2 — CID 51891718

IUPAC2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C14H20ClN3O2/c1-9(2)7-11(14(20)18(3)4)17-13(19)10-5-6-16-12(15)8-10/h5-6,8-9,11H,7H2,1-4H3,(H,17,19)/t11-/m1/s1
InChIKeyFPPLBRCFLNUBKP-LLVKDONJSA-N
MW297.79 g/mol
LogP1.97
Rot. Bonds5

About 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide

2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (PubChem CID 51891718) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
PubChem CID51891718
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)N(C)C
InChIInChI=1S/C14H20ClN3O2/c1-9(2)7-11(14(20)18(3)4)17-13(19)10-5-6-16-12(15)8-10/h5-6,8-9,11H,7H2,1-4H3,(H,17,19)/t11-/m1/s1
InChIKeyFPPLBRCFLNUBKP-LLVKDONJSA-N
XLogP1.97
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.97
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

2,5-dichloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide
CID 114917725
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N,N,4-trimethylpentanamide
CID 61053074
2-[(2-chloropyridine-4-carbonyl)amino]butanoic acid
CID 45122335
4-amino-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-methylbenzamide
CID 43699933
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylpentanoic acid
CID 61155509
N-[(2S)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-3-fluoro-4-methylbenzamide
CID 51950559
3-bromo-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]-4-fluorobenzamide
CID 103706839
4-(aminomethyl)-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43699907
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide (CID 51891718) is 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is CC(C)C[C@@H](NC(=O)c1ccnc(Cl)c1)C(=O)N(C)C.
What is the InChIKey of 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
The InChIKey is FPPLBRCFLNUBKP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9(2)7-11(14(20)18(3)4)17-13(19)10-5-6-16-12(15)8-10/h5-6,8-9,11H,7H2,1-4H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide?
2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide has a molecular weight of 297.79 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 51891718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).