5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

C19H21N5O2 — CID 10286832

IUPAC5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccncc4)c3n2)CC1
InChIInChI=1S/C19H21N5O2/c1-24-10-6-14(7-11-24)26-17-3-2-16-18(23-17)15(12-21-16)19(25)22-13-4-8-20-9-5-13/h2-5,8-9,12,14,21H,6-7,10-11H2,1H3,(H,20,22,25)
InChIKeySXZKUSRTMZLERK-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.68
Rot. Bonds4

About 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide

5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 10286832) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID10286832
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccncc4)c3n2)CC1
InChIInChI=1S/C19H21N5O2/c1-24-10-6-14(7-11-24)26-17-3-2-16-18(23-17)15(12-21-16)19(25)22-13-4-8-20-9-5-13/h2-5,8-9,12,14,21H,6-7,10-11H2,1H3,(H,20,22,25)
InChIKeySXZKUSRTMZLERK-UHFFFAOYSA-N
XLogP2.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 10149937
N-(1-methylpyrazol-3-yl)-5-(1-methylpyrrolidin-3-yl)oxy-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 91041581
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-4-carboxamide
CID 167934524
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]quinoline-5-carboxamide
CID 166209151
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]cinnoline-4-carboxamide
CID 167774517
N-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 167877793
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
N-[3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrrole-2-carboxamide
CID 69071575
2-methyl-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 11035452
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
4-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 19601454

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide (CID 10286832) is 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is CN1CCC(Oc2ccc3[nH]cc(C(=O)Nc4ccncc4)c3n2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is SXZKUSRTMZLERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-24-10-6-14(7-11-24)26-17-3-2-16-18(23-17)15(12-21-16)19(25)22-13-4-8-20-9-5-13/h2-5,8-9,12,14,21H,6-7,10-11H2,1H3,(H,20,22,25).
What are the key properties of 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide?
5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)oxy-N-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 10286832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).