cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide

C14H13Cl2N3O2 — CID 139468639

IUPACcis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOC[C@H]1C[C@@H]1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-21-6-8-2-9(8)14(20)19-12-4-7-3-11(15)18-13(16)10(7)5-17-12/h3-5,8-9H,2,6H2,1H3,(H,17,19,20)/t8-,9+/m1/s1
InChIKeyZZKXZCYZWBFFQR-BDAKNGLRSA-N
MW326.18 g/mol
LogP3.16
Rot. Bonds4

About cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide

cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide (PubChem CID 139468639) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide
PubChem CID139468639
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Namecis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide
SMILESCOC[C@H]1C[C@@H]1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1
InChIInChI=1S/C14H13Cl2N3O2/c1-21-6-8-2-9(8)14(20)19-12-4-7-3-11(15)18-13(16)10(7)5-17-12/h3-5,8-9H,2,6H2,1H3,(H,17,19,20)/t8-,9+/m1/s1
InChIKeyZZKXZCYZWBFFQR-BDAKNGLRSA-N
XLogP3.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate
CID 135344421
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide
CID 135345039
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 135344722
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
cis-(1R,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-methylcyclopropane-1-carboxamide
CID 139468919
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-(1S,2S)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 139468983
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
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 140921076
N-(6-bromo-8-chloroisoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135342509

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide (CID 139468639) is cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide is COC[C@H]1C[C@@H]1C(=O)Nc1cc2cc(Cl)nc(Cl)c2cn1.
What is the InChIKey of cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide?
The InChIKey is ZZKXZCYZWBFFQR-BDAKNGLRSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c1-21-6-8-2-9(8)14(20)19-12-4-7-3-11(15)18-13(16)10(7)5-17-12/h3-5,8-9H,2,6H2,1H3,(H,17,19,20)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide?
cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide has a molecular weight of 326.18 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 139468639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).