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

C30H35F2N5O3 — CID 10231031

IUPACN-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-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)CCc2ccc[nH]2)cc(-c2ncco2)n1
InChIInChI=1S/C30H35F2N5O3/c1-3-11-37(12-4-2)28-18-21(17-26(35-28)30-34-10-13-40-30)29(39)36-25(16-20-14-22(31)19-23(32)15-20)27(38)8-7-24-6-5-9-33-24/h5-6,9-10,13-15,17-19,25,27,33,38H,3-4,7-8,11-12,16H2,1-2H3,(H,36,39)
InChIKeyHNUMIUSHYMPVHS-UHFFFAOYSA-N
MW551.64 g/mol
LogP5.30
Rot. Bonds14

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

N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (PubChem CID 10231031) has the molecular formula C30H35F2N5O3 and a molecular weight of 551.64 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-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-(1H-pyrrol-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
PubChem CID10231031
Molecular FormulaC30H35F2N5O3
Molecular Weight551.64 g/mol
Exact Mass551.27
IUPAC NameN-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-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)CCc2ccc[nH]2)cc(-c2ncco2)n1
InChIInChI=1S/C30H35F2N5O3/c1-3-11-37(12-4-2)28-18-21(17-26(35-28)30-34-10-13-40-30)29(39)36-25(16-20-14-22(31)19-23(32)15-20)27(38)8-7-24-6-5-9-33-24/h5-6,9-10,13-15,17-19,25,27,33,38H,3-4,7-8,11-12,16H2,1-2H3,(H,36,39)
InChIKeyHNUMIUSHYMPVHS-UHFFFAOYSA-N
XLogP5.30
TPSA107.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.64
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-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-(1H-pyrrol-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (CID 10231031) is N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-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-(1H-pyrrol-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-(1H-pyrrol-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)CCc2ccc[nH]2)cc(-c2ncco2)n1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The InChIKey is HNUMIUSHYMPVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F2N5O3/c1-3-11-37(12-4-2)28-18-21(17-26(35-28)30-34-10-13-40-30)29(39)36-25(16-20-14-22(31)19-23(32)15-20)27(38)8-7-24-6-5-9-33-24/h5-6,9-10,13-15,17-19,25,27,33,38H,3-4,7-8,11-12,16H2,1-2H3,(H,36,39).
What are the key properties of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide has a molecular weight of 551.64 g/mol, XLogP of 5.30, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrrol-2-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 10231031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).