N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide

C14H22N4O — CID 114722317

IUPACN-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide
SMILESCC1(c2cncn2CCNC(=O)C2CC2)CCNC1
InChIInChI=1S/C14H22N4O/c1-14(4-5-15-9-14)12-8-16-10-18(12)7-6-17-13(19)11-2-3-11/h8,10-11,15H,2-7,9H2,1H3,(H,17,19)
InChIKeyXKSGYFRRLCRVOF-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.66
Rot. Bonds5

About N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 114722317) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID114722317
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide
SMILESCC1(c2cncn2CCNC(=O)C2CC2)CCNC1
InChIInChI=1S/C14H22N4O/c1-14(4-5-15-9-14)12-8-16-10-18(12)7-6-17-13(19)11-2-3-11/h8,10-11,15H,2-7,9H2,1H3,(H,17,19)
InChIKeyXKSGYFRRLCRVOF-UHFFFAOYSA-N
XLogP0.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719413
ethyl 3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]propanoate
CID 114719022
1-(3-methylbut-2-enyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 106194376
N,N-dimethyl-2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethanamine
CID 114717474
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719612
1-[(4-ethylcyclohexyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114719456
1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine
CID 107165726
N-[2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]ethyl]cyclopropanecarboxamide
CID 114708453
N,N-dimethyl-1-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]cyclopentan-1-amine
CID 114721676
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]cyclopentanecarboxamide
CID 121121015
4-methyl-4-[3-(3-methylsulfonylpropyl)imidazol-4-yl]piperidine
CID 114718584
1,3-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]pyrazole
CID 114721843

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide (CID 114722317) is N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide is CC1(c2cncn2CCNC(=O)C2CC2)CCNC1.
What is the InChIKey of N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is XKSGYFRRLCRVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(4-5-15-9-14)12-8-16-10-18(12)7-6-17-13(19)11-2-3-11/h8,10-11,15H,2-7,9H2,1H3,(H,17,19).
What are the key properties of N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 114722317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).