6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide

C22H27ClN4O2 — CID 60622282

IUPAC6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1ccc(Cl)nc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C22H27ClN4O2/c1-2-3-9-19(26-21(28)16-10-11-20(23)24-15-16)22(29)25-17-7-6-8-18(14-17)27-12-4-5-13-27/h6-8,10-11,14-15,19H,2-5,9,12-13H2,1H3,(H,25,29)(H,26,28)
InChIKeyWPZPLTHAENOIFC-UHFFFAOYSA-N
MW414.94 g/mol
LogP4.26
Rot. Bonds8

About 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide

6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide (PubChem CID 60622282) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
PubChem CID60622282
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1ccc(Cl)nc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C22H27ClN4O2/c1-2-3-9-19(26-21(28)16-10-11-20(23)24-15-16)22(29)25-17-7-6-8-18(14-17)27-12-4-5-13-27/h6-8,10-11,14-15,19H,2-5,9,12-13H2,1H3,(H,25,29)(H,26,28)
InChIKeyWPZPLTHAENOIFC-UHFFFAOYSA-N
XLogP4.26
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 60622222
2-[[2-(methylamino)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 120704211
N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 52525487
3-(methylsulfamoyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]benzamide
CID 47093383
2-oxo-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]-6-phenyl-1H-pyridine-3-carboxamide
CID 60622370
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide
CID 167844025
(2S)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 95766947
2-[3-(3-fluorophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 60622642
N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]piperidine-3-carboxamide;dihydrochloride
CID 119872938
2-(furan-2-ylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)hexanamide
CID 119107045
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide (CID 60622282) is 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide is CCCCC(NC(=O)c1ccc(Cl)nc1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide?
The InChIKey is WPZPLTHAENOIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-2-3-9-19(26-21(28)16-10-11-20(23)24-15-16)22(29)25-17-7-6-8-18(14-17)27-12-4-5-13-27/h6-8,10-11,14-15,19H,2-5,9,12-13H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide?
6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)hexan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 60622282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).