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

C15H20N4O2 — CID 59291978

IUPAC4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C15H20N4O2/c16-14(21)12-7-18-15-11(4-5-17-15)13(12)19-10-3-1-2-9(6-10)8-20/h4-5,7,9-10,20H,1-3,6,8H2,(H2,16,21)(H2,17,18,19)/t9-,10-/m1/s1
InChIKeyZRWAVEOXWSYKPK-NXEZZACHSA-N
MW288.35 g/mol
LogP1.62
Rot. Bonds4

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

4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 59291978) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID59291978
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@@H](CO)C1
InChIInChI=1S/C15H20N4O2/c16-14(21)12-7-18-15-11(4-5-17-15)13(12)19-10-3-1-2-9(6-10)8-20/h4-5,7,9-10,20H,1-3,6,8H2,(H2,16,21)(H2,17,18,19)/t9-,10-/m1/s1
InChIKeyZRWAVEOXWSYKPK-NXEZZACHSA-N
XLogP1.62
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 59291978) is 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1CCC[C@@H](CO)C1.
What is the InChIKey of 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is ZRWAVEOXWSYKPK-NXEZZACHSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-14(21)12-7-18-15-11(4-5-17-15)13(12)19-10-3-1-2-9(6-10)8-20/h4-5,7,9-10,20H,1-3,6,8H2,(H2,16,21)(H2,17,18,19)/t9-,10-/m1/s1.
What are the key properties of 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3R)-3-(hydroxymethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 59291978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).