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

C19H22N6O2 — CID 24958855

IUPAC4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccc(CO)cn2)CC1
InChIInChI=1S/C19H22N6O2/c20-18(27)15-10-23-19-14(3-6-21-19)17(15)24-13-4-7-25(8-5-13)16-2-1-12(11-26)9-22-16/h1-3,6,9-10,13,26H,4-5,7-8,11H2,(H2,20,27)(H2,21,23,24)
InChIKeyCYWQTAJRUYZUBX-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.63
Rot. Bonds5

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

4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 24958855) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID24958855
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccc(CO)cn2)CC1
InChIInChI=1S/C19H22N6O2/c20-18(27)15-10-23-19-14(3-6-21-19)17(15)24-13-4-7-25(8-5-13)16-2-1-12(11-26)9-22-16/h1-3,6,9-10,13,26H,4-5,7-8,11H2,(H2,20,27)(H2,21,23,24)
InChIKeyCYWQTAJRUYZUBX-UHFFFAOYSA-N
XLogP1.63
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 24958855) is 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccc(CO)cn2)CC1.
What is the InChIKey of 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is CYWQTAJRUYZUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c20-18(27)15-10-23-19-14(3-6-21-19)17(15)24-13-4-7-25(8-5-13)16-2-1-12(11-26)9-22-16/h1-3,6,9-10,13,26H,4-5,7-8,11H2,(H2,20,27)(H2,21,23,24).
What are the key properties of 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 24958855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).