N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide

C25H29N5O3 — CID 90261262

IUPACN-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCC(C)(C)ON1CCN(c2ccc(NC(=O)c3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C25H29N5O3/c1-25(2,3)33-30-14-12-29(13-15-30)21-6-4-20(5-7-21)28-24(32)22-16-19(17-27-23(22)31)18-8-10-26-11-9-18/h4-11,16-17H,12-15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyOVNQCLHUFPFXKN-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.54
Rot. Bonds5

About N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide

N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide (PubChem CID 90261262) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
PubChem CID90261262
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
SMILESCC(C)(C)ON1CCN(c2ccc(NC(=O)c3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1
InChIInChI=1S/C25H29N5O3/c1-25(2,3)33-30-14-12-29(13-15-30)21-6-4-20(5-7-21)28-24(32)22-16-19(17-27-23(22)31)18-8-10-26-11-9-18/h4-11,16-17H,12-15H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyOVNQCLHUFPFXKN-UHFFFAOYSA-N
XLogP3.54
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692597
N-(4-methoxyphenyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692594
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110862549
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
N-(2-bicyclo[2.2.1]heptanyl)-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide
CID 58692675
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
tert-butyl N-methyl-N-[1-[4-[(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)amino]phenyl]pyrrolidin-3-yl]carbamate
CID 58866886
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334
5-isoquinolin-4-yl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 24812404

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide (CID 90261262) is N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide is CC(C)(C)ON1CCN(c2ccc(NC(=O)c3cc(-c4ccncc4)c[nH]c3=O)cc2)CC1.
What is the InChIKey of N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
The InChIKey is OVNQCLHUFPFXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-25(2,3)33-30-14-12-29(13-15-30)21-6-4-20(5-7-21)28-24(32)22-16-19(17-27-23(22)31)18-8-10-26-11-9-18/h4-11,16-17H,12-15H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide?
N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(2-methylpropan-2-yl)oxy]piperazin-1-yl]phenyl]-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90261262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).