N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide

C24H27N5O3 — CID 86815957

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)CCC(O)c3ccc4c(c3)CCC(=O)N4)cn2)n1
InChIInChI=1S/C24H27N5O3/c1-15-11-16(2)29(28-15)22-8-3-17(13-25-22)14-26-23(31)10-7-21(30)19-4-6-20-18(12-19)5-9-24(32)27-20/h3-4,6,8,11-13,21,30H,5,7,9-10,14H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUQBOSJISFKTIEC-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.90
Rot. Bonds7

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (PubChem CID 86815957) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
PubChem CID86815957
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)CCC(O)c3ccc4c(c3)CCC(=O)N4)cn2)n1
InChIInChI=1S/C24H27N5O3/c1-15-11-16(2)29(28-15)22-8-3-17(13-25-22)14-26-23(31)10-7-21(30)19-4-6-20-18(12-19)5-9-24(32)27-20/h3-4,6,8,11-13,21,30H,5,7,9-10,14H2,1-2H3,(H,26,31)(H,27,32)
InChIKeyUQBOSJISFKTIEC-UHFFFAOYSA-N
XLogP2.90
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-methyl-3-pyridinyl)methyl]-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94115891
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78890715
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 51120474
2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
CID 120669656
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55971867
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 94097221
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 87005326
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55800908
2-[[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 97333628
6-[(1S)-2-chloro-1-hydroxyethyl]-3,4-dihydro-1H-quinolin-2-one
CID 69453325
6-(1-hydroxypropyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854697

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide (CID 86815957) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is Cc1cc(C)n(-c2ccc(CNC(=O)CCC(O)c3ccc4c(c3)CCC(=O)N4)cn2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
The InChIKey is UQBOSJISFKTIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15-11-16(2)29(28-15)22-8-3-17(13-25-22)14-26-23(31)10-7-21(30)19-4-6-20-18(12-19)5-9-24(32)27-20/h3-4,6,8,11-13,21,30H,5,7,9-10,14H2,1-2H3,(H,26,31)(H,27,32).
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide has a molecular weight of 433.51 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4-hydroxy-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide is sourced from PubChem (CID 86815957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).