[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate

C15H13Cl2N3O3 — CID 135344421

IUPAC[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate
SMILESCC(=O)OCC1CC1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1
InChIInChI=1S/C15H13Cl2N3O3/c1-7(21)23-6-9-2-10(9)15(22)20-13-4-8-3-12(16)19-14(17)11(8)5-18-13/h3-5,9-10H,2,6H2,1H3,(H,18,20,22)
InChIKeyRSESCISXTMPNBP-UHFFFAOYSA-N
MW354.19 g/mol
LogP3.07
Rot. Bonds4

About [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate

[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate (PubChem CID 135344421) has the molecular formula C15H13Cl2N3O3 and a molecular weight of 354.19 g/mol. Its IUPAC name is [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate.

Molecular Properties

Compound Name[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate
PubChem CID135344421
Molecular FormulaC15H13Cl2N3O3
Molecular Weight354.19 g/mol
Exact Mass353.03
IUPAC Name[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate
SMILESCC(=O)OCC1CC1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1
InChIInChI=1S/C15H13Cl2N3O3/c1-7(21)23-6-9-2-10(9)15(22)20-13-4-8-3-12(16)19-14(17)11(8)5-18-13/h3-5,9-10H,2,6H2,1H3,(H,18,20,22)
InChIKeyRSESCISXTMPNBP-UHFFFAOYSA-N
XLogP3.07
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.19
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide
CID 139468639
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide
CID 135345039
trans-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 139469059
trans-(1R,2R)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 140921208
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 135344722
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107
cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide
CID 139468919
trans-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 139468983
tert-butyl 6-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]-2-oxo-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 135344806
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 140921076
2-hydroxypropan-2-yl N-[2-[2-[4-[(1S,2S)-2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]pyrazol-1-yl]ethoxy]ethyl]carbamate
CID 135345466
N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 123638176

Frequently Asked Questions

What is the IUPAC name of [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate?
The IUPAC name of [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate (CID 135344421) is [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate.
What is the SMILES notation for [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate?
The canonical SMILES for [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate is CC(=O)OCC1CC1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1.
What is the InChIKey of [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate?
The InChIKey is RSESCISXTMPNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O3/c1-7(21)23-6-9-2-10(9)15(22)20-13-4-8-3-12(16)19-14(17)11(8)5-18-13/h3-5,9-10H,2,6H2,1H3,(H,18,20,22).
What are the key properties of [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate?
[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate has a molecular weight of 354.19 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate is sourced from PubChem (CID 135344421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).