N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide

C22H23N3O3 — CID 157369021

IUPACN-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1
InChIInChI=1S/C22H23N3O3/c26-21(25-17-4-5-17)15-3-1-2-14(12-15)20-19-16(13-24-20)6-9-23-22(19)28-18-7-10-27-11-8-18/h1-3,6,9,12,17-18H,4-5,7-8,10-11,13H2,(H,25,26)
InChIKeyBJNLUSQFFADEMS-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.88
Rot. Bonds5

About N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide

N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide (PubChem CID 157369021) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide
PubChem CID157369021
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1
InChIInChI=1S/C22H23N3O3/c26-21(25-17-4-5-17)15-3-1-2-14(12-15)20-19-16(13-24-20)6-9-23-22(19)28-18-7-10-27-11-8-18/h1-3,6,9,12,17-18H,4-5,7-8,10-11,13H2,(H,25,26)
InChIKeyBJNLUSQFFADEMS-UHFFFAOYSA-N
XLogP2.88
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
CID 66828941
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
3-[1-[(2,2-difluorocyclopropyl)methyl]pyrazol-4-yl]-4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridine
CID 148567372
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-cyclopropyl-3-(furan-2-yl)benzamide
CID 168525147
N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 121497473
3-iodo-1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridine;[4-[1-methyl-4-(oxan-4-yloxy)pyrazolo[4,3-c]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]phenyl]methanone
CID 159080527
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316
3-(1,3-dimethylpyrazol-4-yl)-N-(oxan-4-yl)benzamide
CID 118792986
2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
CID 155910539

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide (CID 157369021) is N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide is O=C(NC1CC1)c1cccc(C2=NCc3ccnc(OC4CCOCC4)c32)c1.
What is the InChIKey of N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide?
The InChIKey is BJNLUSQFFADEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-21(25-17-4-5-17)15-3-1-2-14(12-15)20-19-16(13-24-20)6-9-23-22(19)28-18-7-10-27-11-8-18/h1-3,6,9,12,17-18H,4-5,7-8,10-11,13H2,(H,25,26).
What are the key properties of N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide?
N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(oxan-4-yloxy)-1H-pyrrolo[3,4-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 157369021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).