N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane

C17H21ClN4O2 — CID 142447590

IUPACN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane
SMILESC1CCOCC1.Nc1nc(Cl)cc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C12H11ClN4O.C5H10O/c13-9-3-7-4-10(17-12(18)6-1-2-6)15-5-8(7)11(14)16-9;1-2-4-6-5-3-1/h3-6H,1-2H2,(H2,14,16)(H,15,17,18);1-5H2
InChIKeyZARKCGYCAVPKDX-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.40
Rot. Bonds2

About N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane

N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane (PubChem CID 142447590) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane.

Molecular Properties

Compound NameN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane
PubChem CID142447590
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC NameN-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane
SMILESC1CCOCC1.Nc1nc(Cl)cc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C12H11ClN4O.C5H10O/c13-9-3-7-4-10(17-12(18)6-1-2-6)15-5-8(7)11(14)16-9;1-2-4-6-5-3-1/h3-6H,1-2H2,(H2,14,16)(H,15,17,18);1-5H2
InChIKeyZARKCGYCAVPKDX-UHFFFAOYSA-N
XLogP3.40
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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-[1-(oxan-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 139468895
N-[8-amino-6-(2-oxo-1,3-oxazolidin-3-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;ethane
CID 142447783
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-hydroxy-2-methylpropanamide
CID 135344727
N-(8-amino-6-pyridin-3-yl-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 142447490
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 135344396
N-[8-amino-6-(3-amino-2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 142447326
tert-butyl (2S,3S)-2-[(8-amino-6-chloro-2,7-naphthyridin-3-yl)carbamoyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 139468916
N-[8-amino-6-(4-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 135344454
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide
CID 135345039

Frequently Asked Questions

What is the IUPAC name of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane?
The IUPAC name of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane (CID 142447590) is N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane.
What is the SMILES notation for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane?
The canonical SMILES for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane is C1CCOCC1.Nc1nc(Cl)cc2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane?
The InChIKey is ZARKCGYCAVPKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O.C5H10O/c13-9-3-7-4-10(17-12(18)6-1-2-6)15-5-8(7)11(14)16-9;1-2-4-6-5-3-1/h3-6H,1-2H2,(H2,14,16)(H,15,17,18);1-5H2.
What are the key properties of N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane?
N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane has a molecular weight of 348.83 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)cyclopropanecarboxamide;oxane is sourced from PubChem (CID 142447590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).