N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide

C11H18N4O — CID 43695426

IUPACN-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCCN1
InChIInChI=1S/C11H18N4O/c1-9(7-15-6-5-12-8-15)14-11(16)10-3-2-4-13-10/h5-6,8-10,13H,2-4,7H2,1H3,(H,14,16)
InChIKeyJOWCBABBCYMHMW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.14
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 43695426) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
PubChem CID43695426
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCCN1
InChIInChI=1S/C11H18N4O/c1-9(7-15-6-5-12-8-15)14-11(16)10-3-2-4-13-10/h5-6,8-10,13H,2-4,7H2,1H3,(H,14,16)
InChIKeyJOWCBABBCYMHMW-UHFFFAOYSA-N
XLogP0.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 43695432
N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 61372754
N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43112147
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
N-(1-imidazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119856864
(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120939612
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81044808
N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
CID 119856885
(2S)-N-(4-hydroxybutan-2-yl)piperidine-2-carboxamide
CID 104914608
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
(2R)-N-[(2S)-1-aminopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 130736371

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide (CID 43695426) is N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide is CC(Cn1ccnc1)NC(=O)C1CCCN1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is JOWCBABBCYMHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(7-15-6-5-12-8-15)14-11(16)10-3-2-4-13-10/h5-6,8-10,13H,2-4,7H2,1H3,(H,14,16).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43695426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).