(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide

C13H22N4O — CID 99932022

IUPAC(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCCn1ccnc1CN1CC[C@@H](C(=O)NC)C1
InChIInChI=1S/C13H22N4O/c1-3-6-17-8-5-15-12(17)10-16-7-4-11(9-16)13(18)14-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,14,18)/t11-/m1/s1
InChIKeyIDOOREAKBAJJQU-LLVKDONJSA-N
MW250.35 g/mol
LogP0.86
Rot. Bonds5

About (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide

(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 99932022) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID99932022
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCCn1ccnc1CN1CC[C@@H](C(=O)NC)C1
InChIInChI=1S/C13H22N4O/c1-3-6-17-8-5-15-12(17)10-16-7-4-11(9-16)13(18)14-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,14,18)/t11-/m1/s1
InChIKeyIDOOREAKBAJJQU-LLVKDONJSA-N
XLogP0.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 110258642
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
(3S,4R)-4-(hydroxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 56899943
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56715514
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95211408
3-[(3S)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]benzoic acid
CID 97195148
(1R,5S)-8-methoxy-3-[(1-propylimidazol-2-yl)methyl]-3-azabicyclo[3.2.1]octane
CID 77098146
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 50968231
N-[(3R,4R)-4-hydroxy-1-[(1-propylimidazol-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 110133205
1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72857945
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide (CID 99932022) is (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide is CCCn1ccnc1CN1CC[C@@H](C(=O)NC)C1.
What is the InChIKey of (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is IDOOREAKBAJJQU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-6-17-8-5-15-12(17)10-16-7-4-11(9-16)13(18)14-2/h5,8,11H,3-4,6-7,9-10H2,1-2H3,(H,14,18)/t11-/m1/s1.
What are the key properties of (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 99932022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).