6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H22N6O3S — CID 54761301

IUPAC6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1sccc1C(=O)N1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H22N6O3S/c29-20(27-21-16(5-10-32-21)22(30)28-6-8-31-9-7-28)19-18(25-15-11-23-13-24-12-15)4-3-17(26-19)14-1-2-14/h3-5,10-14,25H,1-2,6-9H2,(H,27,29)
InChIKeyHQBRJUAXXQYPGX-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.28
Rot. Bonds6

About 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54761301) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54761301
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC Name6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1sccc1C(=O)N1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H22N6O3S/c29-20(27-21-16(5-10-32-21)22(30)28-6-8-31-9-7-28)19-18(25-15-11-23-13-24-12-15)4-3-17(26-19)14-1-2-14/h3-5,10-14,25H,1-2,6-9H2,(H,27,29)
InChIKeyHQBRJUAXXQYPGX-UHFFFAOYSA-N
XLogP3.28
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54761301) is 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1sccc1C(=O)N1CCOCC1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is HQBRJUAXXQYPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c29-20(27-21-16(5-10-32-21)22(30)28-6-8-31-9-7-28)19-18(25-15-11-23-13-24-12-15)4-3-17(26-19)14-1-2-14/h3-5,10-14,25H,1-2,6-9H2,(H,27,29).
What are the key properties of 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-(morpholine-4-carbonyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54761301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).