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

C14H18N4O2 — CID 67278172

IUPAC4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1CCC(O)CC1
InChIInChI=1S/C14H18N4O2/c15-13(20)11-7-17-14-10(5-6-16-14)12(11)18-8-1-3-9(19)4-2-8/h5-9,19H,1-4H2,(H2,15,20)(H2,16,17,18)
InChIKeyUBVRYGGRVKXUDN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.38
Rot. Bonds3

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

4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67278172) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67278172
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1CCC(O)CC1
InChIInChI=1S/C14H18N4O2/c15-13(20)11-7-17-14-10(5-6-16-14)12(11)18-8-1-3-9(19)4-2-8/h5-9,19H,1-4H2,(H2,15,20)(H2,16,17,18)
InChIKeyUBVRYGGRVKXUDN-UHFFFAOYSA-N
XLogP1.38
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67278172) is 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1NC1CCC(O)CC1.
What is the InChIKey of 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is UBVRYGGRVKXUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-13(20)11-7-17-14-10(5-6-16-14)12(11)18-8-1-3-9(19)4-2-8/h5-9,19H,1-4H2,(H2,15,20)(H2,16,17,18).
What are the key properties of 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67278172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).