N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

C27H33N5O4 — CID 26340325

IUPACN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-n1cc(CNC(=O)c2cn(CC(C)C)cc(C(=O)N3CCCCC3)c2=O)cn1
InChIInChI=1S/C27H33N5O4/c1-19(2)15-30-17-21(25(33)22(18-30)27(35)31-11-7-4-8-12-31)26(34)28-13-20-14-29-32(16-20)23-9-5-6-10-24(23)36-3/h5-6,9-10,14,16-19H,4,7-8,11-13,15H2,1-3H3,(H,28,34)
InChIKeyIJLQNDAEYIVMEI-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.25
Rot. Bonds8

About N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide

N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 26340325) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID26340325
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC NameN-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-n1cc(CNC(=O)c2cn(CC(C)C)cc(C(=O)N3CCCCC3)c2=O)cn1
InChIInChI=1S/C27H33N5O4/c1-19(2)15-30-17-21(25(33)22(18-30)27(35)31-11-7-4-8-12-31)26(34)28-13-20-14-29-32(16-20)23-9-5-6-10-24(23)36-3/h5-6,9-10,14,16-19H,4,7-8,11-13,15H2,1-3H3,(H,28,34)
InChIKeyIJLQNDAEYIVMEI-UHFFFAOYSA-N
XLogP3.25
TPSA98.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(2-methoxyethyl)-3-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
CID 42162235
5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide
CID 42471896
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
(9aR)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-9-oxo-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126438626
5-(azepane-1-carbonyl)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 45187492
5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26397027
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50982847
(2R)-2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 99971690
2-hydroxy-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylsulfanylbutanamide
CID 86284011
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-[(2R)-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]acetamide
CID 42360133
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-methylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154892390

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide (CID 26340325) is N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is COc1ccccc1-n1cc(CNC(=O)c2cn(CC(C)C)cc(C(=O)N3CCCCC3)c2=O)cn1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is IJLQNDAEYIVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-19(2)15-30-17-21(25(33)22(18-30)27(35)31-11-7-4-8-12-31)26(34)28-13-20-14-29-32(16-20)23-9-5-6-10-24(23)36-3/h5-6,9-10,14,16-19H,4,7-8,11-13,15H2,1-3H3,(H,28,34).
What are the key properties of N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide?
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(2-methylpropyl)-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 26340325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).