6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C19H22F2N6O2 — CID 75202654

IUPAC6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCOC[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2F)cc1NC(C)C
InChIInChI=1S/C19H22F2N6O2/c1-11(2)26-16-5-17(27-18-15(21)4-12(6-22)7-24-18)23-9-14(16)19(28)25-8-13(20)10-29-3/h4-5,7,9,11,13H,8,10H2,1-3H3,(H,25,28)(H2,23,24,26,27)/t13-/m1/s1
InChIKeyRMGGHUFCMYNUOK-CYBMUJFWSA-N
MW404.42 g/mol
LogP2.77
Rot. Bonds9

About 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 75202654) has the molecular formula C19H22F2N6O2 and a molecular weight of 404.42 g/mol. Its IUPAC name is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID75202654
Molecular FormulaC19H22F2N6O2
Molecular Weight404.42 g/mol
Exact Mass404.18
IUPAC Name6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCOC[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2F)cc1NC(C)C
InChIInChI=1S/C19H22F2N6O2/c1-11(2)26-16-5-17(27-18-15(21)4-12(6-22)7-24-18)23-9-14(16)19(28)25-8-13(20)10-29-3/h4-5,7,9,11,13H,8,10H2,1-3H3,(H,25,28)(H2,23,24,26,27)/t13-/m1/s1
InChIKeyRMGGHUFCMYNUOK-CYBMUJFWSA-N
XLogP2.77
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.77
H-Bond Donors ≤ 53
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-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 75202654) is 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is COC[C@H](F)CNC(=O)c1cnc(Nc2ncc(C#N)cc2F)cc1NC(C)C.
What is the InChIKey of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is RMGGHUFCMYNUOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22F2N6O2/c1-11(2)26-16-5-17(27-18-15(21)4-12(6-22)7-24-18)23-9-14(16)19(28)25-8-13(20)10-29-3/h4-5,7,9,11,13H,8,10H2,1-3H3,(H,25,28)(H2,23,24,26,27)/t13-/m1/s1.
What are the key properties of 6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-[(5-cyano-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 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-[(2R)-2-fluoro-3-methoxypropyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 75202654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).