methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate

C22H23N5O4S — CID 71060833

IUPACmethyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N
InChIInChI=1S/C22H23N5O4S/c1-30-22(29)17-12-24-5-4-18(17)26-21(28)16-10-14(11-25-20(16)23)19-3-2-15(32-19)13-27-6-8-31-9-7-27/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H,24,26,28)
InChIKeyCMPWXMFWOPOFHN-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.66
Rot. Bonds6

About methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate

methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate (PubChem CID 71060833) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate
PubChem CID71060833
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC Namemethyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cnccc1NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N
InChIInChI=1S/C22H23N5O4S/c1-30-22(29)17-12-24-5-4-18(17)26-21(28)16-10-14(11-25-20(16)23)19-3-2-15(32-19)13-27-6-8-31-9-7-27/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H,24,26,28)
InChIKeyCMPWXMFWOPOFHN-UHFFFAOYSA-N
XLogP2.66
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate (CID 71060833) is methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate is COC(=O)c1cnccc1NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N.
What is the InChIKey of methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate?
The InChIKey is CMPWXMFWOPOFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-30-22(29)17-12-24-5-4-18(17)26-21(28)16-10-14(11-25-20(16)23)19-3-2-15(32-19)13-27-6-8-31-9-7-27/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H,24,26,28).
What are the key properties of methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate?
methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate has a molecular weight of 453.52 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carbonyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 71060833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).