2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide

C21H27N7O4 — CID 136930918

IUPAC2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
SMILESCCOC(OCC)C(=O)Nc1cccc(CO/N=C(\C2=NNNN2C)c2ccccc2)n1
InChIInChI=1S/C21H27N7O4/c1-4-30-21(31-5-2)20(29)23-17-13-9-12-16(22-17)14-32-25-18(15-10-7-6-8-11-15)19-24-26-27-28(19)3/h6-13,21,26-27H,4-5,14H2,1-3H3,(H,22,23,29)/b25-18-
InChIKeyRKHFJFIGMZNTIW-BWAHOGKJSA-N
MW441.49 g/mol
LogP1.61
Rot. Bonds11

About 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide

2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide (PubChem CID 136930918) has the molecular formula C21H27N7O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
PubChem CID136930918
Molecular FormulaC21H27N7O4
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC Name2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
SMILESCCOC(OCC)C(=O)Nc1cccc(CO/N=C(\C2=NNNN2C)c2ccccc2)n1
InChIInChI=1S/C21H27N7O4/c1-4-30-21(31-5-2)20(29)23-17-13-9-12-16(22-17)14-32-25-18(15-10-7-6-8-11-15)19-24-26-27-28(19)3/h6-13,21,26-27H,4-5,14H2,1-3H3,(H,22,23,29)/b25-18-
InChIKeyRKHFJFIGMZNTIW-BWAHOGKJSA-N
XLogP1.61
TPSA121.70 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethoxypropan-2-yl N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 136930939
2-(5,5-dimethyl-1,3-dioxan-2-yl)-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 136930920
2-ethoxy-2-ethylsulfanyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272788
3-ethoxy-2-methyl-3-methylsulfanyl-N-[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 123966477
3-methoxy-2-methyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272926
6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide
CID 89272903
2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide
CID 89272931
(1-ethoxycyclopropyl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89272899
(2E)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-2-propoxyiminopropanamide
CID 58567422
5-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]pentanamide
CID 89272878
2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272897
tert-butyl N-[6-[[(E)-[(2-methyl-5-oxo-1,2,4-oxadiazol-3-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 131741639

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The IUPAC name of 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide (CID 136930918) is 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide is CCOC(OCC)C(=O)Nc1cccc(CO/N=C(\C2=NNNN2C)c2ccccc2)n1.
What is the InChIKey of 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
The InChIKey is RKHFJFIGMZNTIW-BWAHOGKJSA-N. The full InChI is InChI=1S/C21H27N7O4/c1-4-30-21(31-5-2)20(29)23-17-13-9-12-16(22-17)14-32-25-18(15-10-7-6-8-11-15)19-24-26-27-28(19)3/h6-13,21,26-27H,4-5,14H2,1-3H3,(H,22,23,29)/b25-18-.
What are the key properties of 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide?
2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide has a molecular weight of 441.49 g/mol, XLogP of 1.61, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-[6-[[(Z)-[(1-methyl-2,3-dihydrotetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 136930918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).