4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid

C21H25Cl2N5O5 — CID 157401422

IUPAC4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid
SMILESCNC(=O)c1cc(Cl)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C11H14ClN3O2.C10H11ClN2O3/c1-13-11(16)9-6-8(12)7-10(14-9)15-2-4-17-5-3-15;11-7-5-8(10(14)15)12-9(6-7)13-1-3-16-4-2-13/h6-7H,2-5H2,1H3,(H,13,16);5-6H,1-4H2,(H,14,15)
InChIKeyBNFCFYUNMJORAX-UHFFFAOYSA-N
MW498.37 g/mol
LogP2.20
Rot. Bonds4

About 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid

4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid (PubChem CID 157401422) has the molecular formula C21H25Cl2N5O5 and a molecular weight of 498.37 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid
PubChem CID157401422
Molecular FormulaC21H25Cl2N5O5
Molecular Weight498.37 g/mol
Exact Mass497.12
IUPAC Name4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid
SMILESCNC(=O)c1cc(Cl)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C11H14ClN3O2.C10H11ClN2O3/c1-13-11(16)9-6-8(12)7-10(14-9)15-2-4-17-5-3-15;11-7-5-8(10(14)15)12-9(6-7)13-1-3-16-4-2-13/h6-7H,2-5H2,1H3,(H,13,16);5-6H,1-4H2,(H,14,15)
InChIKeyBNFCFYUNMJORAX-UHFFFAOYSA-N
XLogP2.20
TPSA117.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid with MolForge

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Related Compounds

3-Chloro-6-(1-piperazinyl)-2-pyridinecarboxylic acid dihydrochloride
CID 16245040
3-Chloro-6-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 50957400
4-Chloro-6-morpholinopicolinic acid
CID 66630690
Methyl 4-chloro-6-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
CID 67057603
4-(4-Acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid
CID 68515493
6-(4-{[(3,4-dichloro-5-methyl-1H-pyrrol-2-yl)carbonyl]amino}piperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 68580048
[4-(1-Chloroethylideneamino)-5-methoxy-5-oxopent-3-enyl] 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 123928074
Methyl 6-piperidin-1-ylpyridine-2-carboxylate;(6-piperidin-1-yl-2-pyridinyl)methanol
CID 157149546
Tert-butyl 4-(4,6-dichloropyridine-2-carbonyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;4,6-dichloropyridine-2-carboxylic acid
CID 158145564
4-Chloro-6-morpholin-4-ylpyridine-2-carboxylic acid;methyl 4-chloro-6-morpholin-4-ylpyridine-2-carboxylate
CID 158349113
6-Morpholin-4-ylpyridine-2-carboxylic acid;2-morpholin-4-ylpyrimidine-4-carboxamide
CID 158473587
2,6-Dichloropyridine-4-carboxylic acid;2-methyl-6-morpholin-4-ylpyridine-4-carboxylic acid
CID 159750202

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid (CID 157401422) is 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid is CNC(=O)c1cc(Cl)cc(N2CCOCC2)n1.O=C(O)c1cc(Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid?
The InChIKey is BNFCFYUNMJORAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2.C10H11ClN2O3/c1-13-11(16)9-6-8(12)7-10(14-9)15-2-4-17-5-3-15;11-7-5-8(10(14)15)12-9(6-7)13-1-3-16-4-2-13/h6-7H,2-5H2,1H3,(H,13,16);5-6H,1-4H2,(H,14,15).
What are the key properties of 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid?
4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid has a molecular weight of 498.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-morpholin-4-ylpyridine-2-carboxamide;4-chloro-6-morpholin-4-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 157401422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).