N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide

C11H18N4O — CID 103511511

IUPACN-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCCNC1CC1
InChIInChI=1S/C11H18N4O/c1-15-8-12-7-10(15)11(16)14-6-2-5-13-9-3-4-9/h7-9,13H,2-6H2,1H3,(H,14,16)
InChIKeyQSQYSWLSSYJCQI-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.29
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide

N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide (PubChem CID 103511511) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
PubChem CID103511511
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCCNC1CC1
InChIInChI=1S/C11H18N4O/c1-15-8-12-7-10(15)11(16)14-6-2-5-13-9-3-4-9/h7-9,13H,2-6H2,1H3,(H,14,16)
InChIKeyQSQYSWLSSYJCQI-UHFFFAOYSA-N
XLogP0.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclohexyloxypropyl)-3-methylimidazole-4-carboxamide
CID 122562458
N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
CID 106305682
N-cyclopentyl-3-methylimidazole-4-carboxamide
CID 110848735
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885
N-(5-chloro-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 106156832
N-(2-cyanoethyl)-3-methylimidazole-4-carboxamide
CID 103510931
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-3-methylimidazole-4-carboxamide
CID 103511904
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
N-[3-(cyclopropylamino)propyl]-5-methylpyrazine-2-carboxamide
CID 43596390

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide (CID 103511511) is N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCCCNC1CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide?
The InChIKey is QSQYSWLSSYJCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-8-12-7-10(15)11(16)14-6-2-5-13-9-3-4-9/h7-9,13H,2-6H2,1H3,(H,14,16).
What are the key properties of N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide?
N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).