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

C13H13ClN4O — CID 139468919

IUPACcis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1cc2cc(Cl)nc(N)c2cn1
InChIInChI=1S/C13H13ClN4O/c1-6-2-8(6)13(19)18-11-4-7-3-10(14)17-12(15)9(7)5-16-11/h3-6,8H,2H2,1H3,(H2,15,17)(H,16,18,19)/t6-,8+/m0/s1
InChIKeyGCNMQRQLWLMPMM-POYBYMJQSA-N
MW276.73 g/mol
LogP2.46
Rot. Bonds2

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

cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 139468919) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID139468919
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Namecis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1cc2cc(Cl)nc(N)c2cn1
InChIInChI=1S/C13H13ClN4O/c1-6-2-8(6)13(19)18-11-4-7-3-10(14)17-12(15)9(7)5-16-11/h3-6,8H,2H2,1H3,(H2,15,17)(H,16,18,19)/t6-,8+/m0/s1
InChIKeyGCNMQRQLWLMPMM-POYBYMJQSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.46
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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Related Compounds

trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 139468983
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 140921076
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 135344396
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide
CID 135345039
trans-(1R,2R)-N-[8-amino-6-(1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 139469104
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane
CID 142447590
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide
CID 135344727
cis-(1R,2S)-N-[8-amino-6-(2-ethylpyrazol-3-yl)-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 163936268
trans-(1S,2S)-N-[8-amino-6-[(2E,4Z)-3-methyl-5-(methylideneamino)penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 139469060
trans-(1R,2R)-N-[8-amino-6-(dimethylsulfamoyl)isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 142447992
trans-(1R,2R)-N-[8-chloro-6-[(4R)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]isoquinolin-3-yl]-2-methylcyclopropane-1-carboxamide
CID 142448167
[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate
CID 135344421

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide (CID 139468919) is cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)Nc1cc2cc(Cl)nc(N)c2cn1.
What is the InChIKey of cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is GCNMQRQLWLMPMM-POYBYMJQSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-6-2-8(6)13(19)18-11-4-7-3-10(14)17-12(15)9(7)5-16-11/h3-6,8H,2H2,1H3,(H2,15,17)(H,16,18,19)/t6-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide?
cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 276.73 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 139468919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).