cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide

C14H14FN3O2 — CID 177348755

IUPACcis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
SMILESCCc1cc(NC(=O)[C@@H]2C[C@@H]2F)nc2cc[nH]c(=O)c12
InChIInChI=1S/C14H14FN3O2/c1-2-7-5-11(18-13(19)8-6-9(8)15)17-10-3-4-16-14(20)12(7)10/h3-5,8-9H,2,6H2,1H3,(H,16,20)(H,17,18,19)/t8-,9+/m1/s1
InChIKeyRZIXKMSSNLUYPD-BDAKNGLRSA-N
MW275.28 g/mol
LogP1.78
Rot. Bonds3

About cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 177348755) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID177348755
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Namecis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
SMILESCCc1cc(NC(=O)[C@@H]2C[C@@H]2F)nc2cc[nH]c(=O)c12
InChIInChI=1S/C14H14FN3O2/c1-2-7-5-11(18-13(19)8-6-9(8)15)17-10-3-4-16-14(20)12(7)10/h3-5,8-9H,2,6H2,1H3,(H,16,20)(H,17,18,19)/t8-,9+/m1/s1
InChIKeyRZIXKMSSNLUYPD-BDAKNGLRSA-N
XLogP1.78
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 146488508
2-fluoro-N-[4-[[5-methyl-3-(oxan-4-yl)-4H-pyrazolo[5,4-c]quinolin-6-yl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropane-1-carboxamide
CID 177348288
trans-(1R,2S)-N-[5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 172538757
N-(5-oxo-4-prop-1-en-2-yl-6H-pyrido[4,3-d]pyrimidin-2-yl)cyclopropanecarboxamide
CID 177347189
cis-(1S,2S)-2-fluoro-N-[6-(5-methyl-1H-indol-6-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 155069370
N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 123638176
cis-(1S,2S)-2-fluoro-N-[6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686215
2-fluoro-N-[6-[5-(hydroxymethyl)-1H-indol-4-yl]imidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxamide
CID 154686179
cis-(1S,2S)-N-[6-(7-ethoxy-5-ethyl-6-fluoro-1H-indazol-4-yl)imidazo[1,2-b]pyridazin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 164520531
N-[1-ethyl-3-(4-methyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]-2-fluorocyclopropane-1-carboxamide
CID 166123847
N-[4-[(5-methyl-3-propan-2-yl-4H-pyrazolo[5,4-c]quinolin-6-yl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 177347622
N-[5-[5-ethyl-6-fluoro-7-[2-(methylamino)-2-oxoethyl]sulfanyl-1H-indazol-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-fluorocyclopropane-1-carboxamide
CID 175707259

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide (CID 177348755) is cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide is CCc1cc(NC(=O)[C@@H]2C[C@@H]2F)nc2cc[nH]c(=O)c12.
What is the InChIKey of cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is RZIXKMSSNLUYPD-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-2-7-5-11(18-13(19)8-6-9(8)15)17-10-3-4-16-14(20)12(7)10/h3-5,8-9H,2,6H2,1H3,(H,16,20)(H,17,18,19)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 177348755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).