4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide

C20H24ClN4O2+ — CID 9143516

IUPAC4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccccc1C[NH+]1CCCC1
InChIInChI=1S/C20H23ClN4O2/c21-17-7-8-22-18(11-17)20(27)24-13-19(26)23-12-15-5-1-2-6-16(15)14-25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,23,26)(H,24,27)/p+1
InChIKeyZPZIQHPSYGSVMI-UHFFFAOYSA-O
MW387.89 g/mol
LogP0.96
Rot. Bonds7

About 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide

4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide (PubChem CID 9143516) has the molecular formula C20H24ClN4O2+ and a molecular weight of 387.89 g/mol. Its IUPAC name is 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide
PubChem CID9143516
Molecular FormulaC20H24ClN4O2+
Molecular Weight387.89 g/mol
Exact Mass387.16
IUPAC Name4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide
SMILESO=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccccc1C[NH+]1CCCC1
InChIInChI=1S/C20H23ClN4O2/c21-17-7-8-22-18(11-17)20(27)24-13-19(26)23-12-15-5-1-2-6-16(15)14-25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,23,26)(H,24,27)/p+1
InChIKeyZPZIQHPSYGSVMI-UHFFFAOYSA-O
XLogP0.96
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]-2-oxoethyl]-4-chloropyridine-2-carboxamide
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4-chloro-N-[2-[[1-(dimethylamino)cycloheptyl]methylamino]-2-oxoethyl]pyridine-2-carboxamide
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4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
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5-chloro-3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
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2-phenoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide (CID 9143516) is 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide is O=C(CNC(=O)c1cc(Cl)ccn1)NCc1ccccc1C[NH+]1CCCC1.
What is the InChIKey of 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide?
The InChIKey is ZPZIQHPSYGSVMI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23ClN4O2/c21-17-7-8-22-18(11-17)20(27)24-13-19(26)23-12-15-5-1-2-6-16(15)14-25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10,12-14H2,(H,23,26)(H,24,27)/p+1.
What are the key properties of 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide?
4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).