N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide

C22H27ClN4O2 — CID 3231056

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1ccc(Cl)nc1)C1CCCC1
InChIInChI=1S/C22H27ClN4O2/c1-22(2,3)26-20(28)19(17-10-6-7-13-24-17)27(16-8-4-5-9-16)21(29)15-11-12-18(23)25-14-15/h6-7,10-14,16,19H,4-5,8-9H2,1-3H3,(H,26,28)
InChIKeyJRLFNNVRQWGMLP-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.17
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide (PubChem CID 3231056) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide
PubChem CID3231056
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1ccc(Cl)nc1)C1CCCC1
InChIInChI=1S/C22H27ClN4O2/c1-22(2,3)26-20(28)19(17-10-6-7-13-24-17)27(16-8-4-5-9-16)21(29)15-11-12-18(23)25-14-15/h6-7,10-14,16,19H,4-5,8-9H2,1-3H3,(H,26,28)
InChIKeyJRLFNNVRQWGMLP-UHFFFAOYSA-N
XLogP4.17
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222430
N-cyclohexyl-N-[2-(2,2-difluoroethylamino)-2-oxo-1-pyridin-2-ylethyl]benzamide
CID 166342313
N'-[2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N'-cyclopentyl-N-pyridin-2-ylbutanediamide
CID 3205008
N-[2-(tert-butylamino)-2-oxo-1-thiophen-3-ylethyl]-N-cyclopropyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 44634828
[(2R)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 6-chloropyridine-3-carboxylate
CID 7407633
N-[2-(tert-butylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3231051
N-[2-(tert-butylamino)-2-oxo-1-pyridin-4-ylethyl]-N-cyclopentyl-5-phenyl-1H-pyrrole-2-carboxamide
CID 3862208
N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3222462
3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 159086975
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(2-phenylpropan-2-yl)benzamide
CID 166334145
N-[2-(tert-butylamino)-1-(2-chloro-6-fluorophenyl)-2-oxoethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222439
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 2628800

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide (CID 3231056) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide is CC(C)(C)NC(=O)C(c1ccccn1)N(C(=O)c1ccc(Cl)nc1)C1CCCC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide?
The InChIKey is JRLFNNVRQWGMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-22(2,3)26-20(28)19(17-10-6-7-13-24-17)27(16-8-4-5-9-16)21(29)15-11-12-18(23)25-14-15/h6-7,10-14,16,19H,4-5,8-9H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-6-chloro-N-cyclopentylpyridine-3-carboxamide is sourced from PubChem (CID 3231056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).