6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C25H30N8O2 — CID 90154971

IUPAC6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccc(C#N)cn2)ncc1C(=O)NC1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C25H30N8O2/c1-16(2)30-20-12-23(32-22-5-4-17(13-26)14-27-22)28-15-19(20)24(34)31-18-6-9-25(35,10-7-18)21-8-11-29-33(21)3/h4-5,8,11-12,14-16,18,35H,6-7,9-10H2,1-3H3,(H,31,34)(H2,27,28,30,32)
InChIKeyJVHDXMMFWOCHNA-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.21
Rot. Bonds7

About 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 90154971) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID90154971
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ccc(C#N)cn2)ncc1C(=O)NC1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C25H30N8O2/c1-16(2)30-20-12-23(32-22-5-4-17(13-26)14-27-22)28-15-19(20)24(34)31-18-6-9-25(35,10-7-18)21-8-11-29-33(21)3/h4-5,8,11-12,14-16,18,35H,6-7,9-10H2,1-3H3,(H,31,34)(H2,27,28,30,32)
InChIKeyJVHDXMMFWOCHNA-UHFFFAOYSA-N
XLogP3.21
TPSA140.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 90154971) is 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ccc(C#N)cn2)ncc1C(=O)NC1CCC(O)(c2ccnn2C)CC1.
What is the InChIKey of 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is JVHDXMMFWOCHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-16(2)30-20-12-23(32-22-5-4-17(13-26)14-27-22)28-15-19(20)24(34)31-18-6-9-25(35,10-7-18)21-8-11-29-33(21)3/h4-5,8,11-12,14-16,18,35H,6-7,9-10H2,1-3H3,(H,31,34)(H2,27,28,30,32).
What are the key properties of 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 3.21, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-2-pyridinyl)amino]-N-[4-hydroxy-4-(2-methylpyrazol-3-yl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90154971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).