N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

C15H11Cl2N5O — CID 135344561

IUPACN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1c1cn[nH]c1
InChIInChI=1S/C15H11Cl2N5O/c16-12-1-7-2-13(18-6-11(7)14(17)21-12)22-15(23)10-3-9(10)8-4-19-20-5-8/h1-2,4-6,9-10H,3H2,(H,19,20)(H,18,22,23)
InChIKeyRRHCTGZFRNOLMB-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.40
Rot. Bonds3

About N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide

N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 135344561) has the molecular formula C15H11Cl2N5O and a molecular weight of 348.19 g/mol. Its IUPAC name is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID135344561
Molecular FormulaC15H11Cl2N5O
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC NameN-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1c1cn[nH]c1
InChIInChI=1S/C15H11Cl2N5O/c16-12-1-7-2-13(18-6-11(7)14(17)21-12)22-15(23)10-3-9(10)8-4-19-20-5-8/h1-2,4-6,9-10H,3H2,(H,19,20)(H,18,22,23)
InChIKeyRRHCTGZFRNOLMB-UHFFFAOYSA-N
XLogP3.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide (CID 135344561) is N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is O=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)C1CC1c1cn[nH]c1.
What is the InChIKey of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is RRHCTGZFRNOLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O/c16-12-1-7-2-13(18-6-11(7)14(17)21-12)22-15(23)10-3-9(10)8-4-19-20-5-8/h1-2,4-6,9-10H,3H2,(H,19,20)(H,18,22,23).
What are the key properties of N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide?
N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 348.19 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-dichloro-2,7-naphthyridin-3-yl)-2-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135344561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).