6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H18N6OS — CID 53329709

IUPAC6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H18N6OS/c29-22(28-20-9-8-19(30-20)17-3-1-2-10-25-17)21-18(26-15-11-23-13-24-12-15)7-6-16(27-21)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,29)
InChIKeyYJZROEUFMIOLNK-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.87
Rot. Bonds6

About 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329709) has the molecular formula C22H18N6OS and a molecular weight of 414.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329709
Molecular FormulaC22H18N6OS
Molecular Weight414.49 g/mol
Exact Mass414.13
IUPAC Name6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H18N6OS/c29-22(28-20-9-8-19(30-20)17-3-1-2-10-25-17)21-18(26-15-11-23-13-24-12-15)7-6-16(27-21)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,29)
InChIKeyYJZROEUFMIOLNK-UHFFFAOYSA-N
XLogP4.87
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329709) is 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1ccc(-c2ccccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is YJZROEUFMIOLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS/c29-22(28-20-9-8-19(30-20)17-3-1-2-10-25-17)21-18(26-15-11-23-13-24-12-15)7-6-16(27-21)14-4-5-14/h1-3,6-14,26H,4-5H2,(H,28,29).
What are the key properties of 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).