6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H19F2N7O2 — CID 70116466

IUPAC6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H19F2N7O2/c23-22(24)10-31(11-22)21(33)15-5-6-25-9-18(15)30-20(32)19-17(28-14-7-26-12-27-8-14)4-3-16(29-19)13-1-2-13/h3-9,12-13,28H,1-2,10-11H2,(H,30,32)
InChIKeyMDJPEVUIYLZTQJ-UHFFFAOYSA-N
MW451.44 g/mol
LogP3.23
Rot. Bonds6

About 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 70116466) has the molecular formula C22H19F2N7O2 and a molecular weight of 451.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID70116466
Molecular FormulaC22H19F2N7O2
Molecular Weight451.44 g/mol
Exact Mass451.16
IUPAC Name6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H19F2N7O2/c23-22(24)10-31(11-22)21(33)15-5-6-25-9-18(15)30-20(32)19-17(28-14-7-26-12-27-8-14)4-3-16(29-19)13-1-2-13/h3-9,12-13,28H,1-2,10-11H2,(H,30,32)
InChIKeyMDJPEVUIYLZTQJ-UHFFFAOYSA-N
XLogP3.23
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 70116466) is 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is MDJPEVUIYLZTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O2/c23-22(24)10-31(11-22)21(33)15-5-6-25-9-18(15)30-20(32)19-17(28-14-7-26-12-27-8-14)4-3-16(29-19)13-1-2-13/h3-9,12-13,28H,1-2,10-11H2,(H,30,32).
What are the key properties of 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 451.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 70116466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).