2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide

C22H24N4O3S — CID 71061146

IUPAC2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(CN4CCOCC4)s3)cnc2N)cc1
InChIInChI=1S/C22H24N4O3S/c1-28-17-4-2-16(3-5-17)25-22(27)19-12-15(13-24-21(19)23)20-7-6-18(30-20)14-26-8-10-29-11-9-26/h2-7,12-13H,8-11,14H2,1H3,(H2,23,24)(H,25,27)
InChIKeyUANVBHMEXMGHSB-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.49
Rot. Bonds6

About 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide

2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 71061146) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
PubChem CID71061146
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccc(CN4CCOCC4)s3)cnc2N)cc1
InChIInChI=1S/C22H24N4O3S/c1-28-17-4-2-16(3-5-17)25-22(27)19-12-15(13-24-21(19)23)20-7-6-18(30-20)14-26-8-10-29-11-9-26/h2-7,12-13H,8-11,14H2,1H3,(H2,23,24)(H,25,27)
InChIKeyUANVBHMEXMGHSB-UHFFFAOYSA-N
XLogP3.49
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide (CID 71061146) is 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccc(CN4CCOCC4)s3)cnc2N)cc1.
What is the InChIKey of 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is UANVBHMEXMGHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-28-17-4-2-16(3-5-17)25-22(27)19-12-15(13-24-21(19)23)20-7-6-18(30-20)14-26-8-10-29-11-9-26/h2-7,12-13H,8-11,14H2,1H3,(H2,23,24)(H,25,27).
What are the key properties of 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxyphenyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71061146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).