N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

C22H24F2N4O3 — CID 167188939

IUPACN-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCc1cc(C(O)C(C)(F)F)ncc1C1=Cc2cnc(NC(=O)C3CC3)cc2N(C)C1O
InChIInChI=1S/C22H24F2N4O3/c1-11-6-16(19(29)22(2,23)24)25-10-15(11)14-7-13-9-26-18(27-20(30)12-4-5-12)8-17(13)28(3)21(14)31/h6-10,12,19,21,29,31H,4-5H2,1-3H3,(H,26,27,30)
InChIKeyVXNSKWUDRVJGRD-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.13
Rot. Bonds5

About N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (PubChem CID 167188939) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
PubChem CID167188939
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC NameN-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCc1cc(C(O)C(C)(F)F)ncc1C1=Cc2cnc(NC(=O)C3CC3)cc2N(C)C1O
InChIInChI=1S/C22H24F2N4O3/c1-11-6-16(19(29)22(2,23)24)25-10-15(11)14-7-13-9-26-18(27-20(30)12-4-5-12)8-17(13)28(3)21(14)31/h6-10,12,19,21,29,31H,4-5H2,1-3H3,(H,26,27,30)
InChIKeyVXNSKWUDRVJGRD-UHFFFAOYSA-N
XLogP3.13
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (CID 167188939) is N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is Cc1cc(C(O)C(C)(F)F)ncc1C1=Cc2cnc(NC(=O)C3CC3)cc2N(C)C1O.
What is the InChIKey of N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The InChIKey is VXNSKWUDRVJGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-11-6-16(19(29)22(2,23)24)25-10-15(11)14-7-13-9-26-18(27-20(30)12-4-5-12)8-17(13)28(3)21(14)31/h6-10,12,19,21,29,31H,4-5H2,1-3H3,(H,26,27,30).
What are the key properties of N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 430.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(2,2-difluoro-1-hydroxypropyl)-4-methyl-3-pyridinyl]-2-hydroxy-1-methyl-2H-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167188939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).