N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane

C23H32ClN5O2 — CID 145131079

IUPACN-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane
SMILESCC.[H]/N=C(\C)c1c(NC2CCN(C)CC2)ncc(C(=O)Nc2ccc(Cl)cc2)c1OC
InChIInChI=1S/C21H26ClN5O2.C2H6/c1-13(23)18-19(29-3)17(21(28)26-15-6-4-14(22)5-7-15)12-24-20(18)25-16-8-10-27(2)11-9-16;1-2/h4-7,12,16,23H,8-11H2,1-3H3,(H,24,25)(H,26,28);1-2H3/b23-13+;
InChIKeyXPAMQAWLYVQFIQ-PUZWSPMBSA-N
MW446.00 g/mol
LogP4.92
Rot. Bonds6

About N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane

N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane (PubChem CID 145131079) has the molecular formula C23H32ClN5O2 and a molecular weight of 446.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane
PubChem CID145131079
Molecular FormulaC23H32ClN5O2
Molecular Weight446.00 g/mol
Exact Mass445.22
IUPAC NameN-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane
SMILESCC.[H]/N=C(\C)c1c(NC2CCN(C)CC2)ncc(C(=O)Nc2ccc(Cl)cc2)c1OC
InChIInChI=1S/C21H26ClN5O2.C2H6/c1-13(23)18-19(29-3)17(21(28)26-15-6-4-14(22)5-7-15)12-24-20(18)25-16-8-10-27(2)11-9-16;1-2/h4-7,12,16,23H,8-11H2,1-3H3,(H,24,25)(H,26,28);1-2H3/b23-13+;
InChIKeyXPAMQAWLYVQFIQ-PUZWSPMBSA-N
XLogP4.92
TPSA90.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.00
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(piperidin-4-ylamino)pyridine-3-carboxamide
CID 145131051
4-chloro-5-ethanimidoyl-6-[(1-propan-2-ylpiperidin-4-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 145131064
4-chloro-N-(4-chlorophenyl)-5-methanimidoyl-6-(thian-4-ylamino)pyridine-3-carboxamide
CID 145131031
6-[[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]amino]-4-chloro-5-ethanimidoylpyridine-3-carboxylic acid
CID 145130921
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 145130837
N-(4-methylphenyl)-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide
CID 133383281
4-chloro-N-(4-chlorophenyl)-5-ethanimidoyl-6-[[(2Z)-2-hydrazinyl-2-hydrazinylideneethyl]amino]pyridine-3-carboxamide
CID 145131118
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
N-[2-methoxy-4-[(1-methylpiperidin-4-yl)amino]phenyl]acetamide
CID 43672947
5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
6-anilino-4-chloro-5-ethanimidoyl-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 145131074

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane?
The IUPAC name of N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane (CID 145131079) is N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane.
What is the SMILES notation for N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane?
The canonical SMILES for N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane is CC.[H]/N=C(\C)c1c(NC2CCN(C)CC2)ncc(C(=O)Nc2ccc(Cl)cc2)c1OC.
What is the InChIKey of N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane?
The InChIKey is XPAMQAWLYVQFIQ-PUZWSPMBSA-N. The full InChI is InChI=1S/C21H26ClN5O2.C2H6/c1-13(23)18-19(29-3)17(21(28)26-15-6-4-14(22)5-7-15)12-24-20(18)25-16-8-10-27(2)11-9-16;1-2/h4-7,12,16,23H,8-11H2,1-3H3,(H,24,25)(H,26,28);1-2H3/b23-13+;.
What are the key properties of N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane?
N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane has a molecular weight of 446.00 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-ethanimidoyl-4-methoxy-6-[(1-methylpiperidin-4-yl)amino]pyridine-3-carboxamide;ethane is sourced from PubChem (CID 145131079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).