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

C18H22N4O3 — CID 119043695

IUPACN-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCC(C)Oc1cccnc1NC(=O)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C18H22N4O3/c1-13(2)24-16-6-4-9-20-17(16)21-18(23)22-10-7-15(12-22)25-14-5-3-8-19-11-14/h3-6,8-9,11,13,15H,7,10,12H2,1-2H3,(H,20,21,23)
InChIKeyBHNBZNRPAYPLSY-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.95
Rot. Bonds5

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

N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 119043695) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID119043695
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCC(C)Oc1cccnc1NC(=O)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C18H22N4O3/c1-13(2)24-16-6-4-9-20-17(16)21-18(23)22-10-7-15(12-22)25-14-5-3-8-19-11-14/h3-6,8-9,11,13,15H,7,10,12H2,1-2H3,(H,20,21,23)
InChIKeyBHNBZNRPAYPLSY-UHFFFAOYSA-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

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Related Compounds

(3S)-N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 124875009
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-4-yloxypyrrolidine-1-carboxamide
CID 119043701
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
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-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227478

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 119043695) is N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide is CC(C)Oc1cccnc1NC(=O)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is BHNBZNRPAYPLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(2)24-16-6-4-9-20-17(16)21-18(23)22-10-7-15(12-22)25-14-5-3-8-19-11-14/h3-6,8-9,11,13,15H,7,10,12H2,1-2H3,(H,20,21,23).
What are the key properties of N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-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 N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 119043695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).