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

C14H19N5O — CID 67277763

IUPAC4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCN1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1
InChIInChI=1S/C14H19N5O/c1-19-6-3-9(4-7-19)18-12-10-2-5-16-14(10)17-8-11(12)13(15)20/h2,5,8-9H,3-4,6-7H2,1H3,(H2,15,20)(H2,16,17,18)
InChIKeySFAUUEIFBNIFTM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds3

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

4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67277763) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67277763
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCN1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1
InChIInChI=1S/C14H19N5O/c1-19-6-3-9(4-7-19)18-12-10-2-5-16-14(10)17-8-11(12)13(15)20/h2,5,8-9H,3-4,6-7H2,1H3,(H2,15,20)(H2,16,17,18)
InChIKeySFAUUEIFBNIFTM-UHFFFAOYSA-N
XLogP1.17
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67277763) is 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CN1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is SFAUUEIFBNIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-6-3-9(4-7-19)18-12-10-2-5-16-14(10)17-8-11(12)13(15)20/h2,5,8-9H,3-4,6-7H2,1H3,(H2,15,20)(H2,16,17,18).
What are the key properties of 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67277763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).