(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide

C21H21F2N5O2 — CID 171555408

IUPAC(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3nc2N)cn1
InChIInChI=1S/C21H21F2N5O2/c1-3-17(29)16-4-10(2)13(9-25-16)12-5-11-8-26-18(6-15(11)27-19(12)24)28-20(30)14-7-21(14,22)23/h4-6,8-9,14,17,29H,3,7H2,1-2H3,(H2,24,27)(H,26,28,30)/t14-,17+/m1/s1
InChIKeyKCHNVNTVHNYXCO-PBHICJAKSA-N
MW413.43 g/mol
LogP3.62
Rot. Bonds5

About (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide

(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide (PubChem CID 171555408) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
PubChem CID171555408
Molecular FormulaC21H21F2N5O2
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Name(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide
SMILESCC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3nc2N)cn1
InChIInChI=1S/C21H21F2N5O2/c1-3-17(29)16-4-10(2)13(9-25-16)12-5-11-8-26-18(6-15(11)27-19(12)24)28-20(30)14-7-21(14,22)23/h4-6,8-9,14,17,29H,3,7H2,1-2H3,(H2,24,27)(H,26,28,30)/t14-,17+/m1/s1
InChIKeyKCHNVNTVHNYXCO-PBHICJAKSA-N
XLogP3.62
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide with MolForge

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Related Compounds

(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
(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
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
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1S)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-2-methyl-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555797
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,3]oxazolo[4,5-f]isoquinolin-8-yl]cyclopropane-1-carboxamide
CID 170967764
cis-(1S,2S)-2-fluoro-N-[4-[6-[(1R)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967871
cis-(1R,2R)-2-fluoro-N-[4-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967810
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555547
(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

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide?
The IUPAC name of (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) is (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide is CC[C@H](O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@H]4CC4(F)F)cc3nc2N)cn1.
What is the InChIKey of (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide?
The InChIKey is KCHNVNTVHNYXCO-PBHICJAKSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c1-3-17(29)16-4-10(2)13(9-25-16)12-5-11-8-26-18(6-15(11)27-19(12)24)28-20(30)14-7-21(14,22)23/h4-6,8-9,14,17,29H,3,7H2,1-2H3,(H2,24,27)(H,26,28,30)/t14-,17+/m1/s1.
What are the key properties of (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide?
(1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[2-amino-3-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]-2,2-difluorocyclopropane-1-carboxamide is sourced from PubChem (CID 171555408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).