2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide

C22H21N5O3S — CID 71061239

IUPAC2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccnc2ccoc12
InChIInChI=1S/C22H21N5O3S/c23-21-16(22(28)26-18-3-5-24-17-4-8-30-20(17)18)11-14(12-25-21)19-2-1-15(31-19)13-27-6-9-29-10-7-27/h1-5,8,11-12H,6-7,9-10,13H2,(H2,23,25)(H,24,26,28)
InChIKeySVSGSVOKSPDTIL-UHFFFAOYSA-N
MW435.51 g/mol
LogP3.62
Rot. Bonds5

About 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide

2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 71061239) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
PubChem CID71061239
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccnc2ccoc12
InChIInChI=1S/C22H21N5O3S/c23-21-16(22(28)26-18-3-5-24-17-4-8-30-20(17)18)11-14(12-25-21)19-2-1-15(31-19)13-27-6-9-29-10-7-27/h1-5,8,11-12H,6-7,9-10,13H2,(H2,23,25)(H,24,26,28)
InChIKeySVSGSVOKSPDTIL-UHFFFAOYSA-N
XLogP3.62
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide (CID 71061239) is 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide is Nc1ncc(-c2ccc(CN3CCOCC3)s2)cc1C(=O)Nc1ccnc2ccoc12.
What is the InChIKey of 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is SVSGSVOKSPDTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c23-21-16(22(28)26-18-3-5-24-17-4-8-30-20(17)18)11-14(12-25-21)19-2-1-15(31-19)13-27-6-9-29-10-7-27/h1-5,8,11-12H,6-7,9-10,13H2,(H2,23,25)(H,24,26,28).
What are the key properties of 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide?
2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-furo[3,2-b]pyridin-7-yl-5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71061239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).