2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide

C17H15Cl2N3O3 — CID 59618008

IUPAC2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide
SMILESCOc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-25-11-7-12(18)15(13(19)8-11)17(24)21-10-4-5-20-14(6-10)22-16(23)9-2-3-9/h4-9H,2-3H2,1H3,(H2,20,21,22,23,24)
InChIKeyGOYMYCNFOXQYEE-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.00
Rot. Bonds5

About 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide

2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide (PubChem CID 59618008) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide
PubChem CID59618008
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide
SMILESCOc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-25-11-7-12(18)15(13(19)8-11)17(24)21-10-4-5-20-14(6-10)22-16(23)9-2-3-9/h4-9H,2-3H2,1H3,(H2,20,21,22,23,24)
InChIKeyGOYMYCNFOXQYEE-UHFFFAOYSA-N
XLogP4.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide?
The IUPAC name of 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide (CID 59618008) is 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide is COc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide?
The InChIKey is GOYMYCNFOXQYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-25-11-7-12(18)15(13(19)8-11)17(24)21-10-4-5-20-14(6-10)22-16(23)9-2-3-9/h4-9H,2-3H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide?
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide has a molecular weight of 380.23 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide is sourced from PubChem (CID 59618008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).