N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide

C17H17N3O3 — CID 1452890

IUPACN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1
InChIInChI=1S/C17H17N3O3/c1-23-14-4-2-3-12(9-14)17(22)19-13-7-8-15(18-10-13)20-16(21)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyUVMVBNHLAARAQG-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.69
Rot. Bonds5

About N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide

N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide (PubChem CID 1452890) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
PubChem CID1452890
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1
InChIInChI=1S/C17H17N3O3/c1-23-14-4-2-3-12(9-14)17(22)19-13-7-8-15(18-10-13)20-16(21)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyUVMVBNHLAARAQG-UHFFFAOYSA-N
XLogP2.69
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cycloheptylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113014907
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3-methoxybenzamide
CID 113023123
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-3-methoxybenzamide
CID 113034694
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-methoxybenzamide
CID 113028619
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
3-bromo-N-[6-(3-methoxyanilino)-3-pyridinyl]benzamide
CID 113019395

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide (CID 1452890) is N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)c1.
What is the InChIKey of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is UVMVBNHLAARAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-14-4-2-3-12(9-14)17(22)19-13-7-8-15(18-10-13)20-16(21)11-5-6-11/h2-4,7-11H,5-6H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide?
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 311.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 1452890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).