(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

C22H20F2N4O3 — CID 166123829

IUPAC(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3n(C)c2=O)cn1
InChIInChI=1S/C22H20F2N4O3/c1-4-18(29)16-5-11(2)14(10-25-16)13-6-12-9-26-19(7-17(12)28(3)21(13)31)27-20(30)15-8-22(15,23)24/h5-7,9-10,15H,4,8H2,1-3H3,(H,26,27,30)/t15-/m1/s1
InChIKeyFGNBZESOTCEDGC-OAHLLOKOSA-N
MW426.42 g/mol
LogP3.49
Rot. Bonds5

About (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (PubChem CID 166123829) has the molecular formula C22H20F2N4O3 and a molecular weight of 426.42 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
PubChem CID166123829
Molecular FormulaC22H20F2N4O3
Molecular Weight426.42 g/mol
Exact Mass426.15
IUPAC Name(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3n(C)c2=O)cn1
InChIInChI=1S/C22H20F2N4O3/c1-4-18(29)16-5-11(2)14(10-25-16)13-6-12-9-26-19(7-17(12)28(3)21(13)31)27-20(30)15-8-22(15,23)24/h5-7,9-10,15H,4,8H2,1-3H3,(H,26,27,30)/t15-/m1/s1
InChIKeyFGNBZESOTCEDGC-OAHLLOKOSA-N
XLogP3.49
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123675
cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171556510
(1R)-N-[3-[6-[(E)-C-ethyl-N-hydroxycarbonimidoyl]-5-fluoro-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171556536
(1S)-2,2-difluoro-N-[3-(5-fluoro-4-methyl-3-pyridinyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 167188299
(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171556269
cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967989
N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170967852
cis-(1R,2R)-2-fluoro-N-[3-[6-[(1S)-1-hydroxyethyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123775
N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123608
CID 166123464
CID 166123464
cis-(1R,2R)-N-[3-[6-[(1R)-1-deuterio-1-hydroxybut-3-enyl]-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 171556491
cis-(1S,2S)-2-fluoro-N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123711

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide (CID 166123829) is (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is CCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3n(C)c2=O)cn1.
What is the InChIKey of (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
The InChIKey is FGNBZESOTCEDGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20F2N4O3/c1-4-18(29)16-5-11(2)14(10-25-16)13-6-12-9-26-19(7-17(12)28(3)21(13)31)27-20(30)15-8-22(15,23)24/h5-7,9-10,15H,4,8H2,1-3H3,(H,26,27,30)/t15-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide has a molecular weight of 426.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 166123829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).