2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide

C18H30N6O2 — CID 110044203

IUPAC2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NC1CCCC1)N1CCOC(c2cnn(C)c2)C1
InChIInChI=1S/C18H30N6O2/c1-22(2)17(25)11-19-18(21-15-6-4-5-7-15)24-8-9-26-16(13-24)14-10-20-23(3)12-14/h10,12,15-16H,4-9,11,13H2,1-3H3,(H,19,21)
InChIKeyPKARWFNWHWWUAR-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.77
Rot. Bonds4

About 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110044203) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110044203
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NC1CCCC1)N1CCOC(c2cnn(C)c2)C1
InChIInChI=1S/C18H30N6O2/c1-22(2)17(25)11-19-18(21-15-6-4-5-7-15)24-8-9-26-16(13-24)14-10-20-23(3)12-14/h10,12,15-16H,4-9,11,13H2,1-3H3,(H,19,21)
InChIKeyPKARWFNWHWWUAR-UHFFFAOYSA-N
XLogP0.77
TPSA74.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide (CID 110044203) is 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(/NC1CCCC1)N1CCOC(c2cnn(C)c2)C1.
What is the InChIKey of 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is PKARWFNWHWWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-22(2)17(25)11-19-18(21-15-6-4-5-7-15)24-8-9-26-16(13-24)14-10-20-23(3)12-14/h10,12,15-16H,4-9,11,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 362.48 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110044203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).