ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine

C21H32N6O — CID 158890114

IUPACethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine
SMILESCC.CC.Cc1ncc2cccnc2n1.Cc1ncccc1C=O.[H]/N=C(\C)N
InChIInChI=1S/C8H7N3.C7H7NO.C2H6N2.2C2H6/c1-6-10-5-7-3-2-4-9-8(7)11-6;1-6-7(5-9)3-2-4-8-6;1-2(3)4;2*1-2/h2-5H,1H3;2-5H,1H3;1H3,(H3,3,4);2*1-2H3
InChIKeyJECVUTCHLOTLIF-UHFFFAOYSA-N
MW384.53 g/mol
LogP4.53
Rot. Bonds1

About ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine

ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine (PubChem CID 158890114) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Nameethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine
PubChem CID158890114
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Nameethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine
SMILESCC.CC.Cc1ncc2cccnc2n1.Cc1ncccc1C=O.[H]/N=C(\C)N
InChIInChI=1S/C8H7N3.C7H7NO.C2H6N2.2C2H6/c1-6-10-5-7-3-2-4-9-8(7)11-6;1-6-7(5-9)3-2-4-8-6;1-2(3)4;2*1-2/h2-5H,1H3;2-5H,1H3;1H3,(H3,3,4);2*1-2H3
InChIKeyJECVUTCHLOTLIF-UHFFFAOYSA-N
XLogP4.53
TPSA118.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzene-1,4-diamine;2-methylpyridine-3-carbaldehyde
CID 143052286
2-aminopyridine-3-carbaldehyde;methane;2-methyl-1,8-naphthyridine;propan-2-one
CID 160775686
(3-formyl-2-pyridinyl)boronic acid
CID 130822828
2-methanimidoylpyridine-3-carbaldehyde
CID 139520379
1-(2-methyl-1,8-naphthyridine-3-carbonyl)-3-naphthalen-2-ylpyrazole-4-carbaldehyde
CID 10475611
2-aminosulfanylpyridine-3-carbaldehyde
CID 155744539
2-(5-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine
CID 141003087
2-methyl-3-[(1Z,3Z)-2-propan-2-ylpenta-1,3-dienyl]pyridine
CID 138722170
3-formylpyridine-2-sulfonic acid
CID 87563681
ethane;1-(2-methyl-3-pyridinyl)ethanone
CID 143815583
2,3-dimethylpyridine;formamide;hydrate
CID 175110807
3-formylpyridine-4-carboximidamide
CID 173421409

Frequently Asked Questions

What is the IUPAC name of ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine?
The IUPAC name of ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine (CID 158890114) is ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine.
What is the SMILES notation for ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine?
The canonical SMILES for ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine is CC.CC.Cc1ncc2cccnc2n1.Cc1ncccc1C=O.[H]/N=C(\C)N.
What is the InChIKey of ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine?
The InChIKey is JECVUTCHLOTLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3.C7H7NO.C2H6N2.2C2H6/c1-6-10-5-7-3-2-4-9-8(7)11-6;1-6-7(5-9)3-2-4-8-6;1-2(3)4;2*1-2/h2-5H,1H3;2-5H,1H3;1H3,(H3,3,4);2*1-2H3.
What are the key properties of ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine?
ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine has a molecular weight of 384.53 g/mol, XLogP of 4.53, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanimidamide;2-methylpyridine-3-carbaldehyde;2-methylpyrido[2,3-d]pyrimidine is sourced from PubChem (CID 158890114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).