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

C29H34F2N6O3 — CID 10280889

IUPACN-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-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)CCc2ccn[nH]2)cc(-c2ncco2)n1
InChIInChI=1S/C29H34F2N6O3/c1-3-10-37(11-4-2)27-17-20(16-25(34-27)29-32-9-12-40-29)28(39)35-24(15-19-13-21(30)18-22(31)14-19)26(38)6-5-23-7-8-33-36-23/h7-9,12-14,16-18,24,26,38H,3-6,10-11,15H2,1-2H3,(H,33,36)(H,35,39)
InChIKeyRUFSNBLCBQPUQQ-UHFFFAOYSA-N
MW552.63 g/mol
LogP4.70
Rot. Bonds14

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

N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (PubChem CID 10280889) has the molecular formula C29H34F2N6O3 and a molecular weight of 552.63 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-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-pyrazol-5-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide
PubChem CID10280889
Molecular FormulaC29H34F2N6O3
Molecular Weight552.63 g/mol
Exact Mass552.27
IUPAC NameN-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-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)CCc2ccn[nH]2)cc(-c2ncco2)n1
InChIInChI=1S/C29H34F2N6O3/c1-3-10-37(11-4-2)27-17-20(16-25(34-27)29-32-9-12-40-29)28(39)35-24(15-19-13-21(30)18-22(31)14-19)26(38)6-5-23-7-8-33-36-23/h7-9,12-14,16-18,24,26,38H,3-6,10-11,15H2,1-2H3,(H,33,36)(H,35,39)
InChIKeyRUFSNBLCBQPUQQ-UHFFFAOYSA-N
XLogP4.70
TPSA120.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.63
LogP ≤ 54.70
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-(1H-pyrazol-5-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-pyrazol-5-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide (CID 10280889) is N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-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-pyrazol-5-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-pyrazol-5-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)CCc2ccn[nH]2)cc(-c2ncco2)n1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
The InChIKey is RUFSNBLCBQPUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N6O3/c1-3-10-37(11-4-2)27-17-20(16-25(34-27)29-32-9-12-40-29)28(39)35-24(15-19-13-21(30)18-22(31)14-19)26(38)6-5-23-7-8-33-36-23/h7-9,12-14,16-18,24,26,38H,3-6,10-11,15H2,1-2H3,(H,33,36)(H,35,39).
What are the key properties of N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide?
N-[1-(3,5-difluorophenyl)-3-hydroxy-5-(1H-pyrazol-5-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide has a molecular weight of 552.63 g/mol, XLogP of 4.70, 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-(1H-pyrazol-5-yl)pentan-2-yl]-2-(dipropylamino)-6-(1,3-oxazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 10280889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).