N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide

C31H39F2N5O4 — CID 10210425

IUPACN-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CCC2CCCC(=O)N2)cc(-c2ncco2)n1
InChIInChI=1S/C31H39F2N5O4/c1-3-11-38(12-4-2)28-18-21(17-26(36-28)31-34-10-13-42-31)30(41)37-25(16-20-14-22(32)19-23(33)15-20)27(39)9-8-24-6-5-7-29(40)35-24/h10,13-15,17-19,24-25,27,39H,3-9,11-12,16H2,1-2H3,(H,35,40)(H,37,41)
InChIKeyVUMZNJGFVQKWPT-UHFFFAOYSA-N
MW583.68 g/mol
LogP4.79
Rot. Bonds14

About N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide

N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (PubChem CID 10210425) has the molecular formula C31H39F2N5O4 and a molecular weight of 583.68 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
PubChem CID10210425
Molecular FormulaC31H39F2N5O4
Molecular Weight583.68 g/mol
Exact Mass583.30
IUPAC NameN-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CCC2CCCC(=O)N2)cc(-c2ncco2)n1
InChIInChI=1S/C31H39F2N5O4/c1-3-11-38(12-4-2)28-18-21(17-26(36-28)31-34-10-13-42-31)30(41)37-25(16-20-14-22(32)19-23(33)15-20)27(39)9-8-24-6-5-7-29(40)35-24/h10,13-15,17-19,24-25,27,39H,3-9,11-12,16H2,1-2H3,(H,35,40)(H,37,41)
InChIKeyVUMZNJGFVQKWPT-UHFFFAOYSA-N
XLogP4.79
TPSA120.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.68
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (CID 10210425) is N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)NC(Cc2cc(F)cc(F)c2)C(O)CCC2CCCC(=O)N2)cc(-c2ncco2)n1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The InChIKey is VUMZNJGFVQKWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39F2N5O4/c1-3-11-38(12-4-2)28-18-21(17-26(36-28)31-34-10-13-42-31)30(41)37-25(16-20-14-22(32)19-23(33)15-20)27(39)9-8-24-6-5-7-29(40)35-24/h10,13-15,17-19,24-25,27,39H,3-9,11-12,16H2,1-2H3,(H,35,40)(H,37,41).
What are the key properties of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide has a molecular weight of 583.68 g/mol, XLogP of 4.79, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(6-oxopiperidin-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 10210425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).