3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide

C20H23N7O3 — CID 89272926

IUPAC3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
SMILESCOCC(C)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
InChIInChI=1S/C20H23N7O3/c1-14(12-29-3)20(28)22-17-11-7-10-16(21-17)13-30-24-18(15-8-5-4-6-9-15)19-23-25-26-27(19)2/h4-11,14H,12-13H2,1-3H3,(H,21,22,28)/b24-18-
InChIKeyUXFWONIIASZXBV-MOHJPFBDSA-N
MW409.45 g/mol
LogP1.80
Rot. Bonds9

About 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide

3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide (PubChem CID 89272926) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
PubChem CID89272926
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
SMILESCOCC(C)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
InChIInChI=1S/C20H23N7O3/c1-14(12-29-3)20(28)22-17-11-7-10-16(21-17)13-30-24-18(15-8-5-4-6-9-15)19-23-25-26-27(19)2/h4-11,14H,12-13H2,1-3H3,(H,21,22,28)/b24-18-
InChIKeyUXFWONIIASZXBV-MOHJPFBDSA-N
XLogP1.80
TPSA116.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide?
The IUPAC name of 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide (CID 89272926) is 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide.
What is the SMILES notation for 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide?
The canonical SMILES for 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide is COCC(C)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1.
What is the InChIKey of 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide?
The InChIKey is UXFWONIIASZXBV-MOHJPFBDSA-N. The full InChI is InChI=1S/C20H23N7O3/c1-14(12-29-3)20(28)22-17-11-7-10-16(21-17)13-30-24-18(15-8-5-4-6-9-15)19-23-25-26-27(19)2/h4-11,14H,12-13H2,1-3H3,(H,21,22,28)/b24-18-.
What are the key properties of 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide?
3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide has a molecular weight of 409.45 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 89272926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).