(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C18H25N5O2 — CID 97227591

IUPAC(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C18H25N5O2/c1-14(12-22-9-7-20-15(22)2)10-21-18(24)23-8-5-17(13-23)25-16-4-3-6-19-11-16/h3-4,6-7,9,11,14,17H,5,8,10,12-13H2,1-2H3,(H,21,24)/t14-,17-/m1/s1
InChIKeyYSRLUEWCFOIKNO-RHSMWYFYSA-N
MW343.43 g/mol
LogP2.09
Rot. Bonds6

About (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide

(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 97227591) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID97227591
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H](Oc2cccnc2)C1
InChIInChI=1S/C18H25N5O2/c1-14(12-22-9-7-20-15(22)2)10-21-18(24)23-8-5-17(13-23)25-16-4-3-6-19-11-16/h3-4,6-7,9,11,14,17H,5,8,10,12-13H2,1-2H3,(H,21,24)/t14-,17-/m1/s1
InChIKeyYSRLUEWCFOIKNO-RHSMWYFYSA-N
XLogP2.09
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]piperidine-1-carboxamide
CID 110911484
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
(3S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97059507
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695
(3S,4S)-1-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122001490
(3S)-N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227310
(3S)-N-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97067874
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 97227591) is (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H](Oc2cccnc2)C1.
What is the InChIKey of (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is YSRLUEWCFOIKNO-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(12-22-9-7-20-15(22)2)10-21-18(24)23-8-5-17(13-23)25-16-4-3-6-19-11-16/h3-4,6-7,9,11,14,17H,5,8,10,12-13H2,1-2H3,(H,21,24)/t14-,17-/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97227591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).