N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide

C23H21F2N5O2 — CID 170967852

IUPACN-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4(F)F)cc3c(/C=C\N)n2)cn1
InChIInChI=1S/C23H21F2N5O2/c1-3-20(31)19-6-12(2)15(11-27-19)18-7-13-10-28-21(8-14(13)17(29-18)4-5-26)30-22(32)16-9-23(16,24)25/h4-8,10-11,16H,3,9,26H2,1-2H3,(H,28,30,32)/b5-4-
InChIKeyBYGNWTSMGZCNDL-PLNGDYQASA-N
MW437.45 g/mol
LogP4.12
Rot. Bonds6

About N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide

N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 170967852) has the molecular formula C23H21F2N5O2 and a molecular weight of 437.45 g/mol. Its IUPAC name is N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID170967852
Molecular FormulaC23H21F2N5O2
Molecular Weight437.45 g/mol
Exact Mass437.17
IUPAC NameN-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4(F)F)cc3c(/C=C\N)n2)cn1
InChIInChI=1S/C23H21F2N5O2/c1-3-20(31)19-6-12(2)15(11-27-19)18-7-13-10-28-21(8-14(13)17(29-18)4-5-26)30-22(32)16-9-23(16,24)25/h4-8,10-11,16H,3,9,26H2,1-2H3,(H,28,30,32)/b5-4-
InChIKeyBYGNWTSMGZCNDL-PLNGDYQASA-N
XLogP4.12
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171556269
N-[5-[(Z)-2-aminoethenyl]-7-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]formamide;cyclopropane
CID 170968349
(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171555408
cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 171556020
(1R)-N-[2-ethyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205511
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-cyclopropyl-7-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556220
N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170968332
(1R)-N-[2-cyclopropyl-4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 174205545
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
(1R)-N-[2-cyclopropyl-4-[6-(1-hydroxypropyl)-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170968190

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide (CID 170967852) is N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide is CCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)C4CC4(F)F)cc3c(/C=C\N)n2)cn1.
What is the InChIKey of N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is BYGNWTSMGZCNDL-PLNGDYQASA-N. The full InChI is InChI=1S/C23H21F2N5O2/c1-3-20(31)19-6-12(2)15(11-27-19)18-7-13-10-28-21(8-14(13)17(29-18)4-5-26)30-22(32)16-9-23(16,24)25/h4-8,10-11,16H,3,9,26H2,1-2H3,(H,28,30,32)/b5-4-.
What are the key properties of N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide?
N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 170967852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).