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

C19H21N7O2 — CID 24958852

IUPAC4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)nc1
InChIInChI=1S/C19H21N7O2/c20-17(27)11-1-2-15(23-9-11)26-7-4-12(5-8-26)25-16-13-3-6-22-19(13)24-10-14(16)18(21)28/h1-3,6,9-10,12H,4-5,7-8H2,(H2,20,27)(H2,21,28)(H2,22,24,25)
InChIKeyIYMMMIJOBPFNMT-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.24
Rot. Bonds5

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

4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 24958852) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID24958852
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)nc1
InChIInChI=1S/C19H21N7O2/c20-17(27)11-1-2-15(23-9-11)26-7-4-12(5-8-26)25-16-13-3-6-22-19(13)24-10-14(16)18(21)28/h1-3,6,9-10,12H,4-5,7-8H2,(H2,20,27)(H2,21,28)(H2,22,24,25)
InChIKeyIYMMMIJOBPFNMT-UHFFFAOYSA-N
XLogP1.24
TPSA143.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 24958852) is 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1ccc(N2CCC(Nc3c(C(N)=O)cnc4[nH]ccc34)CC2)nc1.
What is the InChIKey of 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is IYMMMIJOBPFNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c20-17(27)11-1-2-15(23-9-11)26-7-4-12(5-8-26)25-16-13-3-6-22-19(13)24-10-14(16)18(21)28/h1-3,6,9-10,12H,4-5,7-8H2,(H2,20,27)(H2,21,28)(H2,22,24,25).
What are the key properties of 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 24958852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).