N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide

C23H23N5O2 — CID 55858015

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)c(C)nc2c1
InChIInChI=1S/C23H23N5O2/c1-14-9-15(2)28(27-14)22-8-5-17(12-24-22)13-25-23(29)20-10-18-6-7-19(30-4)11-21(18)26-16(20)3/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyLFPUETHSCRPFCG-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.68
Rot. Bonds5

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 55858015) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
PubChem CID55858015
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)c(C)nc2c1
InChIInChI=1S/C23H23N5O2/c1-14-9-15(2)28(27-14)22-8-5-17(12-24-22)13-25-23(29)20-10-18-6-7-19(30-4)11-21(18)26-16(20)3/h5-12H,13H2,1-4H3,(H,25,29)
InChIKeyLFPUETHSCRPFCG-UHFFFAOYSA-N
XLogP3.68
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide with MolForge

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Related Compounds

1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111181375
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxypyridine-4-carboxamide
CID 99810655
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
CID 55801093
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 71896744
1-[(2,4-dimethoxyphenyl)methyl]-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111878826
1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111250244
2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111182114
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
(6-methoxynaphthalen-2-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55670712
7-methoxy-2-methyl-N-(2-methylpropyl)quinoline-3-carboxamide
CID 17425471
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47049114

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide (CID 55858015) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2cc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)c(C)nc2c1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is LFPUETHSCRPFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-9-15(2)28(27-14)22-8-5-17(12-24-22)13-25-23(29)20-10-18-6-7-19(30-4)11-21(18)26-16(20)3/h5-12H,13H2,1-4H3,(H,25,29).
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 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]-7-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 55858015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).