4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

C15H22ClN5O2 — CID 145130943

IUPAC4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NC)ncc(C(=O)NCCN2CCOCC2)c1Cl
InChIInChI=1S/C15H22ClN5O2/c1-10(17)12-13(16)11(9-20-14(12)18-2)15(22)19-3-4-21-5-7-23-8-6-21/h9,17H,3-8H2,1-2H3,(H,18,20)(H,19,22)/b17-10+
InChIKeyXJUPPKZSAXSRLK-LICLKQGHSA-N
MW339.83 g/mol
LogP1.23
Rot. Bonds6

About 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide

4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 145130943) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
PubChem CID145130943
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Name4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
SMILES[H]/N=C(\C)c1c(NC)ncc(C(=O)NCCN2CCOCC2)c1Cl
InChIInChI=1S/C15H22ClN5O2/c1-10(17)12-13(16)11(9-20-14(12)18-2)15(22)19-3-4-21-5-7-23-8-6-21/h9,17H,3-8H2,1-2H3,(H,18,20)(H,19,22)/b17-10+
InChIKeyXJUPPKZSAXSRLK-LICLKQGHSA-N
XLogP1.23
TPSA90.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 51.23
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-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 135253010
2-amino-5-chloro-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 114921931
5-(methylamino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 107374273
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
5-chloro-6-(ethylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 62166235
4-chloro-3-methyl-N-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626649
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624075
3-chloro-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71690241
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide (CID 145130943) is 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is [H]/N=C(\C)c1c(NC)ncc(C(=O)NCCN2CCOCC2)c1Cl.
What is the InChIKey of 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is XJUPPKZSAXSRLK-LICLKQGHSA-N. The full InChI is InChI=1S/C15H22ClN5O2/c1-10(17)12-13(16)11(9-20-14(12)18-2)15(22)19-3-4-21-5-7-23-8-6-21/h9,17H,3-8H2,1-2H3,(H,18,20)(H,19,22)/b17-10+.
What are the key properties of 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide?
4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethanimidoyl-6-(methylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 145130943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).