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

C22H24N6O3S — CID 71061426

IUPACN-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cc(-c3ccc(CN4CCOCC4)s3)cnc2N)ccn1
InChIInChI=1S/C22H24N6O3S/c1-14(29)26-20-11-16(4-5-24-20)27-22(30)18-10-15(12-25-21(18)23)19-3-2-17(32-19)13-28-6-8-31-9-7-28/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H2,24,26,27,29,30)
InChIKeyCYSDRDWNFDQHMX-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.83
Rot. Bonds6

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

N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 71061426) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
PubChem CID71061426
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC NameN-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2cc(-c3ccc(CN4CCOCC4)s3)cnc2N)ccn1
InChIInChI=1S/C22H24N6O3S/c1-14(29)26-20-11-16(4-5-24-20)27-22(30)18-10-15(12-25-21(18)23)19-3-2-17(32-19)13-28-6-8-31-9-7-28/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H2,24,26,27,29,30)
InChIKeyCYSDRDWNFDQHMX-UHFFFAOYSA-N
XLogP2.83
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide (CID 71061426) is N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide is CC(=O)Nc1cc(NC(=O)c2cc(-c3ccc(CN4CCOCC4)s3)cnc2N)ccn1.
What is the InChIKey of N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is CYSDRDWNFDQHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-14(29)26-20-11-16(4-5-24-20)27-22(30)18-10-15(12-25-21(18)23)19-3-2-17(32-19)13-28-6-8-31-9-7-28/h2-5,10-12H,6-9,13H2,1H3,(H2,23,25)(H2,24,26,27,29,30).
What are the key properties of N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-pyridinyl)-2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71061426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).