cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide

C12H10ClFN4O — CID 135344631

IUPACcis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(Cl)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C12H10ClFN4O/c13-9-1-5-2-10(16-4-7(5)11(15)17-9)18-12(19)6-3-8(6)14/h1-2,4,6,8H,3H2,(H2,15,17)(H,16,18,19)/t6-,8+/m1/s1
InChIKeyMFBFZGZXICIPOU-SVRRBLITSA-N
MW280.69 g/mol
LogP2.16
Rot. Bonds2

About cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344631) has the molecular formula C12H10ClFN4O and a molecular weight of 280.69 g/mol. Its IUPAC name is cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID135344631
Molecular FormulaC12H10ClFN4O
Molecular Weight280.69 g/mol
Exact Mass280.05
IUPAC Namecis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(Cl)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C12H10ClFN4O/c13-9-1-5-2-10(16-4-7(5)11(15)17-9)18-12(19)6-3-8(6)14/h1-2,4,6,8H,3H2,(H2,15,17)(H,16,18,19)/t6-,8+/m1/s1
InChIKeyMFBFZGZXICIPOU-SVRRBLITSA-N
XLogP2.16
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide (CID 135344631) is cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide is Nc1nc(Cl)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.
What is the InChIKey of cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is MFBFZGZXICIPOU-SVRRBLITSA-N. The full InChI is InChI=1S/C12H10ClFN4O/c13-9-1-5-2-10(16-4-7(5)11(15)17-9)18-12(19)6-3-8(6)14/h1-2,4,6,8H,3H2,(H2,15,17)(H,16,18,19)/t6-,8+/m1/s1.
What are the key properties of cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 280.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).