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

C20H21N5O2S — CID 71061217

IUPAC2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2csc(CN3CCOCC3)c2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C20H21N5O2S/c21-19-18(20(26)24-16-1-3-22-4-2-16)10-14(11-23-19)15-9-17(28-13-15)12-25-5-7-27-8-6-25/h1-4,9-11,13H,5-8,12H2,(H2,21,23)(H,22,24,26)
InChIKeyYXNUVQPEHUKSLS-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.87
Rot. Bonds5

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

2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 71061217) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID71061217
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
SMILESNc1ncc(-c2csc(CN3CCOCC3)c2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C20H21N5O2S/c21-19-18(20(26)24-16-1-3-22-4-2-16)10-14(11-23-19)15-9-17(28-13-15)12-25-5-7-27-8-6-25/h1-4,9-11,13H,5-8,12H2,(H2,21,23)(H,22,24,26)
InChIKeyYXNUVQPEHUKSLS-UHFFFAOYSA-N
XLogP2.87
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyrimidin-4-ylpyridine-3-carboxamide
CID 71061082
3-amino-6-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-N-pyridin-4-ylpyrazine-2-carboxamide
CID 71061475
[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
CID 174791748
2-amino-N-pyridin-4-yl-5-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 71080374
2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061213
2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061133
2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 123201906
methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
CID 71060843
2-amino-5-(1,5-dihydroimidazo[1,2-a]pyridin-2-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 71062414
4-(morpholin-4-ylmethyl)-N-(2-pyridin-4-yl-1,3-thiazol-5-yl)benzamide
CID 90174299
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
5-(2-acetamido-4-pyridinyl)-2-amino-N-(oxan-4-yl)pyridine-3-carboxamide
CID 118249210

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide (CID 71061217) is 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide is Nc1ncc(-c2csc(CN3CCOCC3)c2)cc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is YXNUVQPEHUKSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c21-19-18(20(26)24-16-1-3-22-4-2-16)10-14(11-23-19)15-9-17(28-13-15)12-25-5-7-27-8-6-25/h1-4,9-11,13H,5-8,12H2,(H2,21,23)(H,22,24,26).
What are the key properties of 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide?
2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 71061217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).