2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide

C26H35N7O3 — CID 89272931

IUPAC2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide
SMILESCCC(OC(C)C)C(C)C(C)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
InChIInChI=1S/C26H35N7O3/c1-7-22(36-17(2)3)18(4)19(5)26(34)28-23-15-11-14-21(27-23)16-35-30-24(20-12-9-8-10-13-20)25-29-31-32-33(25)6/h8-15,17-19,22H,7,16H2,1-6H3,(H,27,28,34)/b30-24-
InChIKeyPGXPEALJLMROEM-KRUMMXJUSA-N
MW493.61 g/mol
LogP3.99
Rot. Bonds12

About 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide

2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide (PubChem CID 89272931) has the molecular formula C26H35N7O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide
PubChem CID89272931
Molecular FormulaC26H35N7O3
Molecular Weight493.61 g/mol
Exact Mass493.28
IUPAC Name2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide
SMILESCCC(OC(C)C)C(C)C(C)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1
InChIInChI=1S/C26H35N7O3/c1-7-22(36-17(2)3)18(4)19(5)26(34)28-23-15-11-14-21(27-23)16-35-30-24(20-12-9-8-10-13-20)25-29-31-32-33(25)6/h8-15,17-19,22H,7,16H2,1-6H3,(H,27,28,34)/b30-24-
InChIKeyPGXPEALJLMROEM-KRUMMXJUSA-N
XLogP3.99
TPSA116.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.99
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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Related Compounds

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
2-ethoxy-2-ethylsulfanyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272788
N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 59582521
(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
(1-ethoxycyclopropyl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
CID 89272899
2,2-bis(2-methoxyethoxy)-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide
CID 89272897
6-ethoxy-6-methoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]hexanamide
CID 89272903
5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide
CID 89272898
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl] N-aminocarbamate
CID 150170848
3,3-dimethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]propanamide;3,3-dimethoxypropanoic acid;6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 172934086

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide?
The IUPAC name of 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide (CID 89272931) is 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide.
What is the SMILES notation for 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide?
The canonical SMILES for 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide is CCC(OC(C)C)C(C)C(C)C(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1.
What is the InChIKey of 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide?
The InChIKey is PGXPEALJLMROEM-KRUMMXJUSA-N. The full InChI is InChI=1S/C26H35N7O3/c1-7-22(36-17(2)3)18(4)19(5)26(34)28-23-15-11-14-21(27-23)16-35-30-24(20-12-9-8-10-13-20)25-29-31-32-33(25)6/h8-15,17-19,22H,7,16H2,1-6H3,(H,27,28,34)/b30-24-.
What are the key properties of 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide?
2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide has a molecular weight of 493.61 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-4-propan-2-yloxyhexanamide is sourced from PubChem (CID 89272931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).