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

C23H21F2N7O2 — CID 54760567

IUPAC6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H21F2N7O2/c24-23(25)6-8-32(12-23)22(34)16-5-7-26-11-19(16)31-21(33)20-18(29-15-9-27-13-28-10-15)4-3-17(30-20)14-1-2-14/h3-5,7,9-11,13-14,29H,1-2,6,8,12H2,(H,31,33)
InChIKeyYGYFOSXJPPNAAL-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.62
Rot. Bonds6

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

6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54760567) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54760567
Molecular FormulaC23H21F2N7O2
Molecular Weight465.46 g/mol
Exact Mass465.17
IUPAC Name6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1C(=O)N1CCC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H21F2N7O2/c24-23(25)6-8-32(12-23)22(34)16-5-7-26-11-19(16)31-21(33)20-18(29-15-9-27-13-28-10-15)4-3-17(30-20)14-1-2-14/h3-5,7,9-11,13-14,29H,1-2,6,8,12H2,(H,31,33)
InChIKeyYGYFOSXJPPNAAL-UHFFFAOYSA-N
XLogP3.62
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.62
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-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54760567) is 6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CCC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is YGYFOSXJPPNAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c24-23(25)6-8-32(12-23)22(34)16-5-7-26-11-19(16)31-21(33)20-18(29-15-9-27-13-28-10-15)4-3-17(30-20)14-1-2-14/h3-5,7,9-11,13-14,29H,1-2,6,8,12H2,(H,31,33).
What are the key properties of 6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[4-(3,3-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 3.62, 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-difluoropyrrolidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54760567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).