3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide

C19H20N6O2S — CID 71061475

IUPAC3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(CN3CCOCC3)s2)nc1C(=O)Nc1ccncc1
InChIInChI=1S/C19H20N6O2S/c20-18-17(19(26)23-13-3-5-21-6-4-13)24-15(11-22-18)16-2-1-14(28-16)12-25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H2,20,22)(H,21,23,26)
InChIKeyLFGSHASYSHJIGU-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.27
Rot. Bonds5

About 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide

3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide (PubChem CID 71061475) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide
PubChem CID71061475
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide
SMILESNc1ncc(-c2ccc(CN3CCOCC3)s2)nc1C(=O)Nc1ccncc1
InChIInChI=1S/C19H20N6O2S/c20-18-17(19(26)23-13-3-5-21-6-4-13)24-15(11-22-18)16-2-1-14(28-16)12-25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H2,20,22)(H,21,23,26)
InChIKeyLFGSHASYSHJIGU-UHFFFAOYSA-N
XLogP2.27
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061217
2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide
CID 71061082
3-amino-6-[4-(aminomethyl)phenyl]-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 137357434
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
methanol;4-[(5-pyridin-3-ylthiophen-2-yl)methyl]morpholine
CID 144647017
4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90174299
1-[4-[4-morpholin-4-yl-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]phenyl]-3-pyridin-3-ylurea
CID 165390423
CID 174022880
CID 174022880
CID 174022831
CID 174022831
3-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 131967239
N-(6-amino-5-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 123275333
3-amino-6-(4-iodo-2,3-dihydro-1,4-benzoxazin-7-yl)-N-(4-morpholin-4-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 167178628

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide (CID 71061475) is 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide is Nc1ncc(-c2ccc(CN3CCOCC3)s2)nc1C(=O)Nc1ccncc1.
What is the InChIKey of 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide?
The InChIKey is LFGSHASYSHJIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c20-18-17(19(26)23-13-3-5-21-6-4-13)24-15(11-22-18)16-2-1-14(28-16)12-25-7-9-27-10-8-25/h1-6,11H,7-10,12H2,(H2,20,22)(H,21,23,26).
What are the key properties of 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide?
3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 71061475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).