1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide

C13H15N3O4 — CID 168981527

IUPAC1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(N(C=O)C=O)CC2)cn1
InChIInChI=1S/C13H15N3O4/c1-15(10-3-4-11(20-2)14-7-10)12(19)13(5-6-13)16(8-17)9-18/h3-4,7-9H,5-6H2,1-2H3
InChIKeyPDNFYHHQXTVBLO-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.20
Rot. Bonds6

About 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide

1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 168981527) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide
PubChem CID168981527
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(N(C)C(=O)C2(N(C=O)C=O)CC2)cn1
InChIInChI=1S/C13H15N3O4/c1-15(10-3-4-11(20-2)14-7-10)12(19)13(5-6-13)16(8-17)9-18/h3-4,7-9H,5-6H2,1-2H3
InChIKeyPDNFYHHQXTVBLO-UHFFFAOYSA-N
XLogP0.20
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide (CID 168981527) is 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide is COc1ccc(N(C)C(=O)C2(N(C=O)C=O)CC2)cn1.
What is the InChIKey of 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is PDNFYHHQXTVBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-15(10-3-4-11(20-2)14-7-10)12(19)13(5-6-13)16(8-17)9-18/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide?
1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diformylamino)-N-(6-methoxy-3-pyridinyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 168981527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).