N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide

C14H21N5O — CID 122595900

IUPACN,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide
SMILESCNC(=O)c1nc(C#CCN2CCCC2)n(C)c1NC
InChIInChI=1S/C14H21N5O/c1-15-13-12(14(20)16-2)17-11(18(13)3)7-6-10-19-8-4-5-9-19/h15H,4-5,8-10H2,1-3H3,(H,16,20)
InChIKeyBCYVSJVSZYFOQL-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.27
Rot. Bonds3

About N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide

N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide (PubChem CID 122595900) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide
PubChem CID122595900
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide
SMILESCNC(=O)c1nc(C#CCN2CCCC2)n(C)c1NC
InChIInChI=1S/C14H21N5O/c1-15-13-12(14(20)16-2)17-11(18(13)3)7-6-10-19-8-4-5-9-19/h15H,4-5,8-10H2,1-3H3,(H,16,20)
InChIKeyBCYVSJVSZYFOQL-UHFFFAOYSA-N
XLogP0.27
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide (CID 122595900) is N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide is CNC(=O)c1nc(C#CCN2CCCC2)n(C)c1NC.
What is the InChIKey of N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide?
The InChIKey is BCYVSJVSZYFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-15-13-12(14(20)16-2)17-11(18(13)3)7-6-10-19-8-4-5-9-19/h15H,4-5,8-10H2,1-3H3,(H,16,20).
What are the key properties of N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide?
N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(methylamino)-2-(3-pyrrolidin-1-ylprop-1-ynyl)imidazole-4-carboxamide is sourced from PubChem (CID 122595900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).