2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide

C22H25Cl2N4O2P — CID 143735216

IUPAC2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide
SMILES[H]/P=C(/c1cc(Cl)ccc1NC(=O)CNC(=O)c1cccnc1Cl)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C22H25Cl2N4O2P/c1-13-8-14(2)12-28(11-13)22(31)17-9-15(23)5-6-18(17)27-19(29)10-26-21(30)16-4-3-7-25-20(16)24/h3-7,9,13-14,31H,8,10-12H2,1-2H3,(H,26,30)(H,27,29)/t13-,14+
InChIKeyJWWSLHDKRTVNNN-OKILXGFUSA-N
MW479.35 g/mol
LogP4.36
Rot. Bonds6

About 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide

2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 143735216) has the molecular formula C22H25Cl2N4O2P and a molecular weight of 479.35 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID143735216
Molecular FormulaC22H25Cl2N4O2P
Molecular Weight479.35 g/mol
Exact Mass478.11
IUPAC Name2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide
SMILES[H]/P=C(/c1cc(Cl)ccc1NC(=O)CNC(=O)c1cccnc1Cl)N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C22H25Cl2N4O2P/c1-13-8-14(2)12-28(11-13)22(31)17-9-15(23)5-6-18(17)27-19(29)10-26-21(30)16-4-3-7-25-20(16)24/h3-7,9,13-14,31H,8,10-12H2,1-2H3,(H,26,30)(H,27,29)/t13-,14+
InChIKeyJWWSLHDKRTVNNN-OKILXGFUSA-N
XLogP4.36
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide
CID 69229535
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CID 26456826
(2Z,4Z)-5-amino-N-[2-[4-chloro-2-[1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethenyl]anilino]-2-oxoethyl]-2-(1-chloroethenyl)penta-2,4-dienamide
CID 89247091
2-chloro-N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 34990121
2-chloro-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 14639186
N-[2-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxoethyl]-2-phenylacetamide
CID 51942969
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
N-(2-bromo-4-chlorophenyl)-2-chloropyridine-3-carboxamide
CID 81027409
4-chloro-2-[(2-chloropyridine-3-carbonyl)amino]benzoic acid
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2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide (CID 143735216) is 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide is [H]/P=C(/c1cc(Cl)ccc1NC(=O)CNC(=O)c1cccnc1Cl)N1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is JWWSLHDKRTVNNN-OKILXGFUSA-N. The full InChI is InChI=1S/C22H25Cl2N4O2P/c1-13-8-14(2)12-28(11-13)22(31)17-9-15(23)5-6-18(17)27-19(29)10-26-21(30)16-4-3-7-25-20(16)24/h3-7,9,13-14,31H,8,10-12H2,1-2H3,(H,26,30)(H,27,29)/t13-,14+.
What are the key properties of 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide?
2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 479.35 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-chloro-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phosphanylidenemethyl]anilino]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 143735216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).