N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

C24H17Cl2F2N5O4 — CID 134181889

IUPACN-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@H](O)[C@@H](O)C3)ccc2c1=O
InChIInChI=1S/C24H17Cl2F2N5O4/c25-14-2-1-3-15(26)20(14)31-24(37)13-8-33(23-16(28)6-11(27)7-29-23)22-12(21(13)36)4-5-19(30-22)32-9-17(34)18(35)10-32/h1-8,17-18,34-35H,9-10H2,(H,31,37)/t17-,18-/m0/s1
InChIKeyLIWGOOQPWHFCHT-ROUUACIJSA-N
MW548.33 g/mol
LogP3.16
Rot. Bonds4

About N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide

N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 134181889) has the molecular formula C24H17Cl2F2N5O4 and a molecular weight of 548.33 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID134181889
Molecular FormulaC24H17Cl2F2N5O4
Molecular Weight548.33 g/mol
Exact Mass547.06
IUPAC NameN-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@H](O)[C@@H](O)C3)ccc2c1=O
InChIInChI=1S/C24H17Cl2F2N5O4/c25-14-2-1-3-15(26)20(14)31-24(37)13-8-33(23-16(28)6-11(27)7-29-23)22-12(21(13)36)4-5-19(30-22)32-9-17(34)18(35)10-32/h1-8,17-18,34-35H,9-10H2,(H,31,37)/t17-,18-/m0/s1
InChIKeyLIWGOOQPWHFCHT-ROUUACIJSA-N
XLogP3.16
TPSA120.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.33
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide (CID 134181889) is N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cn(-c2ncc(F)cc2F)c2nc(N3C[C@H](O)[C@@H](O)C3)ccc2c1=O.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LIWGOOQPWHFCHT-ROUUACIJSA-N. The full InChI is InChI=1S/C24H17Cl2F2N5O4/c25-14-2-1-3-15(26)20(14)31-24(37)13-8-33(23-16(28)6-11(27)7-29-23)22-12(21(13)36)4-5-19(30-22)32-9-17(34)18(35)10-32/h1-8,17-18,34-35H,9-10H2,(H,31,37)/t17-,18-/m0/s1.
What are the key properties of N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide?
N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 548.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 134181889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).