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

C19H21N5O — CID 11759467

IUPACN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccncc4)nc23)CC1
InChIInChI=1S/C19H21N5O/c1-24-10-6-13(7-11-24)15-12-21-16-2-3-17(22-18(15)16)23-19(25)14-4-8-20-9-5-14/h2-5,8-9,12-13,21H,6-7,10-11H2,1H3,(H,22,23,25)
InChIKeyUJDAYRGTKPOMIU-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.02
Rot. Bonds3

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

N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide (PubChem CID 11759467) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide
PubChem CID11759467
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide
SMILESCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccncc4)nc23)CC1
InChIInChI=1S/C19H21N5O/c1-24-10-6-13(7-11-24)15-12-21-16-2-3-17(22-18(15)16)23-19(25)14-4-8-20-9-5-14/h2-5,8-9,12-13,21H,6-7,10-11H2,1H3,(H,22,23,25)
InChIKeyUJDAYRGTKPOMIU-UHFFFAOYSA-N
XLogP3.02
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide (CID 11759467) is N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide is CN1CCC(c2c[nH]c3ccc(NC(=O)c4ccncc4)nc23)CC1.
What is the InChIKey of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide?
The InChIKey is UJDAYRGTKPOMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24-10-6-13(7-11-24)15-12-21-16-2-3-17(22-18(15)16)23-19(25)14-4-8-20-9-5-14/h2-5,8-9,12-13,21H,6-7,10-11H2,1H3,(H,22,23,25).
What are the key properties of N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide?
N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 11759467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).