N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide

C10H17N5O2 — CID 10014483

IUPACN-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(NC=O)cn1C
InChIInChI=1S/C10H17N5O2/c1-14(2)5-4-11-10(17)9-13-8(12-7-16)6-15(9)3/h6-7H,4-5H2,1-3H3,(H,11,17)(H,12,16)
InChIKeyKAMVUWFABLWEKF-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.72
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide

N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide (PubChem CID 10014483) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide
PubChem CID10014483
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide
SMILESCN(C)CCNC(=O)c1nc(NC=O)cn1C
InChIInChI=1S/C10H17N5O2/c1-14(2)5-4-11-10(17)9-13-8(12-7-16)6-15(9)3/h6-7H,4-5H2,1-3H3,(H,11,17)(H,12,16)
InChIKeyKAMVUWFABLWEKF-UHFFFAOYSA-N
XLogP-0.72
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide (CID 10014483) is N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide is CN(C)CCNC(=O)c1nc(NC=O)cn1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide?
The InChIKey is KAMVUWFABLWEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14(2)5-4-11-10(17)9-13-8(12-7-16)6-15(9)3/h6-7H,4-5H2,1-3H3,(H,11,17)(H,12,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-formamido-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10014483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).