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

C21H23N5O2S — CID 71060861

IUPAC2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCc1cnccc1NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N
InChIInChI=1S/C21H23N5O2S/c1-14-11-23-5-4-18(14)25-21(27)17-10-15(12-24-20(17)22)19-3-2-16(29-19)13-26-6-8-28-9-7-26/h2-5,10-12H,6-9,13H2,1H3,(H2,22,24)(H,23,25,27)
InChIKeyXNLQEOMWHKGKJO-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.18
Rot. Bonds5

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

2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 71060861) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
PubChem CID71060861
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCc1cnccc1NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N
InChIInChI=1S/C21H23N5O2S/c1-14-11-23-5-4-18(14)25-21(27)17-10-15(12-24-20(17)22)19-3-2-16(29-19)13-26-6-8-28-9-7-26/h2-5,10-12H,6-9,13H2,1H3,(H2,22,24)(H,23,25,27)
InChIKeyXNLQEOMWHKGKJO-UHFFFAOYSA-N
XLogP3.18
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide (CID 71060861) is 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide is Cc1cnccc1NC(=O)c1cc(-c2ccc(CN3CCOCC3)s2)cnc1N.
What is the InChIKey of 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is XNLQEOMWHKGKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14-11-23-5-4-18(14)25-21(27)17-10-15(12-24-20(17)22)19-3-2-16(29-19)13-26-6-8-28-9-7-26/h2-5,10-12H,6-9,13H2,1H3,(H2,22,24)(H,23,25,27).
What are the key properties of 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-4-pyridinyl)-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71060861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).