6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide

C25H30N6O2 — CID 118206287

IUPAC6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
SMILESCCNc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(C)O)CC1
InChIInChI=1S/C25H30N6O2/c1-4-27-21-12-22(31-10-9-17-11-16(13-26)14-29-23(17)31)28-15-20(21)24(32)30-19-7-5-18(6-8-19)25(2,3)33/h9-12,14-15,18-19,33H,4-8H2,1-3H3,(H,27,28)(H,30,32)
InChIKeyNLZMVCAGJOYHLQ-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.78
Rot. Bonds6

About 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide

6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 118206287) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
PubChem CID118206287
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide
SMILESCCNc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(C)O)CC1
InChIInChI=1S/C25H30N6O2/c1-4-27-21-12-22(31-10-9-17-11-16(13-26)14-29-23(17)31)28-15-20(21)24(32)30-19-7-5-18(6-8-19)25(2,3)33/h9-12,14-15,18-19,33H,4-8H2,1-3H3,(H,27,28)(H,30,32)
InChIKeyNLZMVCAGJOYHLQ-UHFFFAOYSA-N
XLogP3.78
TPSA115.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide (CID 118206287) is 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide is CCNc1cc(-n2ccc3cc(C#N)cnc32)ncc1C(=O)NC1CCC(C(C)(C)O)CC1.
What is the InChIKey of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is NLZMVCAGJOYHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-4-27-21-12-22(31-10-9-17-11-16(13-26)14-29-23(17)31)28-15-20(21)24(32)30-19-7-5-18(6-8-19)25(2,3)33/h9-12,14-15,18-19,33H,4-8H2,1-3H3,(H,27,28)(H,30,32).
What are the key properties of 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide?
6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanopyrrolo[2,3-b]pyridin-1-yl)-4-(ethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 118206287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).