N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide

C16H11Cl2N5O — CID 135344722

IUPACN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1c1ncccn1
InChIInChI=1S/C16H11Cl2N5O/c17-12-4-8-5-13(21-7-11(8)14(18)22-12)23-16(24)10-6-9(10)15-19-2-1-3-20-15/h1-5,7,9-10H,6H2,(H,21,23,24)
InChIKeyNHDMSTJXTIRXTR-UHFFFAOYSA-N
MW360.20 g/mol
LogP3.47
Rot. Bonds3

About N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide

N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide (PubChem CID 135344722) has the molecular formula C16H11Cl2N5O and a molecular weight of 360.20 g/mol. Its IUPAC name is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
PubChem CID135344722
Molecular FormulaC16H11Cl2N5O
Molecular Weight360.20 g/mol
Exact Mass359.03
IUPAC NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1c1ncccn1
InChIInChI=1S/C16H11Cl2N5O/c17-12-4-8-5-13(21-7-11(8)14(18)22-12)23-16(24)10-6-9(10)15-19-2-1-3-20-15/h1-5,7,9-10H,6H2,(H,21,23,24)
InChIKeyNHDMSTJXTIRXTR-UHFFFAOYSA-N
XLogP3.47
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 53.47
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

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
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 140921076
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-methylcyclobutane-1-carboxamide
CID 135345039
cis-(1S,2S)-N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(methoxymethyl)cyclopropane-1-carboxamide
CID 139468639
[2-[(6,8-dichloro-2,7-naphthyridin-3-yl)carbamoyl]cyclopropyl]methyl acetate
CID 135344421
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 135344396
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-(1S,2S)-N-(6-chloropyrimidin-4-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132393
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 N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide (CID 135344722) is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide is O=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1c1ncccn1.
What is the InChIKey of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide?
The InChIKey is NHDMSTJXTIRXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N5O/c17-12-4-8-5-13(21-7-11(8)14(18)22-12)23-16(24)10-6-9(10)15-19-2-1-3-20-15/h1-5,7,9-10H,6H2,(H,21,23,24).
What are the key properties of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide?
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide has a molecular weight of 360.20 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-pyrimidin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 135344722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).