6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C19H24ClF2N5O2 — CID 90154917

IUPAC6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ncc(Cl)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C19H24ClF2N5O2/c1-10(2)26-14-6-16(27-17-13(21)5-11(20)7-24-17)23-8-12(14)18(28)25-9-15(22)19(3,4)29/h5-8,10,15,29H,9H2,1-4H3,(H,25,28)(H2,23,24,26,27)/t15-/m1/s1
InChIKeyJOKNBOUVTOTGOG-OAHLLOKOSA-N
MW427.88 g/mol
LogP3.67
Rot. Bonds8

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

6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 90154917) has the molecular formula C19H24ClF2N5O2 and a molecular weight of 427.88 g/mol. Its IUPAC name is 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID90154917
Molecular FormulaC19H24ClF2N5O2
Molecular Weight427.88 g/mol
Exact Mass427.16
IUPAC Name6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)Nc1cc(Nc2ncc(Cl)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C19H24ClF2N5O2/c1-10(2)26-14-6-16(27-17-13(21)5-11(20)7-24-17)23-8-12(14)18(28)25-9-15(22)19(3,4)29/h5-8,10,15,29H,9H2,1-4H3,(H,25,28)(H2,23,24,26,27)/t15-/m1/s1
InChIKeyJOKNBOUVTOTGOG-OAHLLOKOSA-N
XLogP3.67
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.88
LogP ≤ 53.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 90154917) is 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(Nc2ncc(Cl)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is JOKNBOUVTOTGOG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24ClF2N5O2/c1-10(2)26-14-6-16(27-17-13(21)5-11(20)7-24-17)23-8-12(14)18(28)25-9-15(22)19(3,4)29/h5-8,10,15,29H,9H2,1-4H3,(H,25,28)(H2,23,24,26,27)/t15-/m1/s1.
What are the key properties of 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide?
6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 427.88 g/mol, XLogP of 3.67, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90154917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).