(3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide

C18H22N4O3 — CID 124875009

IUPAC(3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide
SMILESCC(C)Oc1cccnc1NC(=O)N1CC[C@H](Oc2ccncc2)C1
InChIInChI=1S/C18H22N4O3/c1-13(2)24-16-4-3-8-20-17(16)21-18(23)22-11-7-15(12-22)25-14-5-9-19-10-6-14/h3-6,8-10,13,15H,7,11-12H2,1-2H3,(H,20,21,23)/t15-/m0/s1
InChIKeyGIFIUFVPCIWQIB-HNNXBMFYSA-N
MW342.40 g/mol
LogP2.95
Rot. Bonds5

About (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide

(3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide (PubChem CID 124875009) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide
PubChem CID124875009
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide
SMILESCC(C)Oc1cccnc1NC(=O)N1CC[C@H](Oc2ccncc2)C1
InChIInChI=1S/C18H22N4O3/c1-13(2)24-16-4-3-8-20-17(16)21-18(23)22-11-7-15(12-22)25-14-5-9-19-10-6-14/h3-6,8-10,13,15H,7,11-12H2,1-2H3,(H,20,21,23)/t15-/m0/s1
InChIKeyGIFIUFVPCIWQIB-HNNXBMFYSA-N
XLogP2.95
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 119043701
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
N-[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 166197585
2-amino-2-phenyl-1-(3-pyridin-4-yloxypyrrolidin-1-yl)ethanone
CID 119043365
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(3-fluoro-4-pyridinyl)pyrrolidine-1-carboxamide
CID 129477628
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792
oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate
CID 121017457
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377
cyclopropyl-[3-[(2-pyridin-4-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 118676010

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide (CID 124875009) is (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide is CC(C)Oc1cccnc1NC(=O)N1CC[C@H](Oc2ccncc2)C1.
What is the InChIKey of (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
The InChIKey is GIFIUFVPCIWQIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(2)24-16-4-3-8-20-17(16)21-18(23)22-11-7-15(12-22)25-14-5-9-19-10-6-14/h3-6,8-10,13,15H,7,11-12H2,1-2H3,(H,20,21,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide?
(3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 124875009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).