N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide

C12H20N4O — CID 64529966

IUPACN-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ncc[nH]2)CCNC1
InChIInChI=1S/C12H20N4O/c1-2-3-12(4-5-13-9-12)11(17)16-8-10-14-6-7-15-10/h6-7,13H,2-5,8-9H2,1H3,(H,14,15)(H,16,17)
InChIKeySPXSIWFTPSPMNE-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.81
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide

N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 64529966) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID64529966
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ncc[nH]2)CCNC1
InChIInChI=1S/C12H20N4O/c1-2-3-12(4-5-13-9-12)11(17)16-8-10-14-6-7-15-10/h6-7,13H,2-5,8-9H2,1H3,(H,14,15)(H,16,17)
InChIKeySPXSIWFTPSPMNE-UHFFFAOYSA-N
XLogP0.81
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 106396912
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
CID 63134919
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 64516909
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55176192
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241416

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide (CID 64529966) is N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2ncc[nH]2)CCNC1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is SPXSIWFTPSPMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-3-12(4-5-13-9-12)11(17)16-8-10-14-6-7-15-10/h6-7,13H,2-5,8-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide?
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 64529966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).