6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C26H33FN6O2 — CID 90154680

IUPAC6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ncc(C#N)cc2F)ncc1C(=O)NC1CCC(C(C)(O)C2CC2)CC1
InChIInChI=1S/C26H33FN6O2/c1-15(2)31-22-11-23(33-24-21(27)10-16(12-28)13-30-24)29-14-20(22)25(34)32-19-8-6-18(7-9-19)26(3,35)17-4-5-17/h10-11,13-15,17-19,35H,4-9H2,1-3H3,(H,32,34)(H2,29,30,31,33)
InChIKeyXFSKVXWBYIWCFD-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.50
Rot. Bonds8

About 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 90154680) has the molecular formula C26H33FN6O2 and a molecular weight of 480.59 g/mol. Its IUPAC name is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID90154680
Molecular FormulaC26H33FN6O2
Molecular Weight480.59 g/mol
Exact Mass480.26
IUPAC Name6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ncc(C#N)cc2F)ncc1C(=O)NC1CCC(C(C)(O)C2CC2)CC1
InChIInChI=1S/C26H33FN6O2/c1-15(2)31-22-11-23(33-24-21(27)10-16(12-28)13-30-24)29-14-20(22)25(34)32-19-8-6-18(7-9-19)26(3,35)17-4-5-17/h10-11,13-15,17-19,35H,4-9H2,1-3H3,(H,32,34)(H2,29,30,31,33)
InChIKeyXFSKVXWBYIWCFD-UHFFFAOYSA-N
XLogP4.50
TPSA122.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 90154680) is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ncc(C#N)cc2F)ncc1C(=O)NC1CCC(C(C)(O)C2CC2)CC1.
What is the InChIKey of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is XFSKVXWBYIWCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O2/c1-15(2)31-22-11-23(33-24-21(27)10-16(12-28)13-30-24)29-14-20(22)25(34)32-19-8-6-18(7-9-19)26(3,35)17-4-5-17/h10-11,13-15,17-19,35H,4-9H2,1-3H3,(H,32,34)(H2,29,30,31,33).
What are the key properties of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 480.59 g/mol, XLogP of 4.50, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[4-(1-cyclopropyl-1-hydroxyethyl)cyclohexyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90154680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).