cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide

C18H15FN4O — CID 71115147

IUPACcis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
InChIInChI=1S/C18H15FN4O/c1-10-2-3-20-9-14(10)16-4-11-8-22-17(5-12(11)7-21-16)23-18(24)13-6-15(13)19/h2-5,7-9,13,15H,6H2,1H3,(H,22,23,24)/t13-,15+/m1/s1
InChIKeySUDZSZXCDIIYET-HIFRSBDPSA-N
MW322.34 g/mol
LogP3.30
Rot. Bonds3

About cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 71115147) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID71115147
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Namecis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
SMILESCc1ccncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
InChIInChI=1S/C18H15FN4O/c1-10-2-3-20-9-14(10)16-4-11-8-22-17(5-12(11)7-21-16)23-18(24)13-6-15(13)19/h2-5,7-9,13,15H,6H2,1H3,(H,22,23,24)/t13-,15+/m1/s1
InChIKeySUDZSZXCDIIYET-HIFRSBDPSA-N
XLogP3.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 71115147) is cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide is Cc1ccncc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is SUDZSZXCDIIYET-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-10-2-3-20-9-14(10)16-4-11-8-22-17(5-12(11)7-21-16)23-18(24)13-6-15(13)19/h2-5,7-9,13,15H,6H2,1H3,(H,22,23,24)/t13-,15+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[7-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71115147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).