6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one

C27H28F2N4O3 — CID 139557802

IUPAC6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
SMILESCCN(c1ccccc1)c1c(CC2CC2)[nH]c(=O)c(C(=O)N2CCC(c3ncc(F)cc3F)C2)c1O
InChIInChI=1S/C27H28F2N4O3/c1-2-33(19-6-4-3-5-7-19)24-21(12-16-8-9-16)31-26(35)22(25(24)34)27(36)32-11-10-17(15-32)23-20(29)13-18(28)14-30-23/h3-7,13-14,16-17H,2,8-12,15H2,1H3,(H2,31,34,35)
InChIKeyPBLKGZJXHGWNRP-UHFFFAOYSA-N
MW494.54 g/mol
LogP4.49
Rot. Bonds7

About 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one

6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one (PubChem CID 139557802) has the molecular formula C27H28F2N4O3 and a molecular weight of 494.54 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
PubChem CID139557802
Molecular FormulaC27H28F2N4O3
Molecular Weight494.54 g/mol
Exact Mass494.21
IUPAC Name6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one
SMILESCCN(c1ccccc1)c1c(CC2CC2)[nH]c(=O)c(C(=O)N2CCC(c3ncc(F)cc3F)C2)c1O
InChIInChI=1S/C27H28F2N4O3/c1-2-33(19-6-4-3-5-7-19)24-21(12-16-8-9-16)31-26(35)22(25(24)34)27(36)32-11-10-17(15-32)23-20(29)13-18(28)14-30-23/h3-7,13-14,16-17H,2,8-12,15H2,1H3,(H2,31,34,35)
InChIKeyPBLKGZJXHGWNRP-UHFFFAOYSA-N
XLogP4.49
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.54
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one (CID 139557802) is 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one is CCN(c1ccccc1)c1c(CC2CC2)[nH]c(=O)c(C(=O)N2CCC(c3ncc(F)cc3F)C2)c1O.
What is the InChIKey of 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one?
The InChIKey is PBLKGZJXHGWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O3/c1-2-33(19-6-4-3-5-7-19)24-21(12-16-8-9-16)31-26(35)22(25(24)34)27(36)32-11-10-17(15-32)23-20(29)13-18(28)14-30-23/h3-7,13-14,16-17H,2,8-12,15H2,1H3,(H2,31,34,35).
What are the key properties of 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one?
6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one has a molecular weight of 494.54 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-5-(N-ethylanilino)-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 139557802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).