N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide

C25H31N7O3 — CID 171622737

IUPACN-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccnnc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(CC(C)(C)O)CC2)cc1
InChIInChI=1S/C25H31N7O3/c1-17-8-11-27-30-22(17)29-20-9-10-26-23(33)21(20)24(34)28-18-4-6-19(7-5-18)32-14-12-31(13-15-32)16-25(2,3)35/h4-11,35H,12-16H2,1-3H3,(H,28,34)(H2,26,29,30,33)
InChIKeyQLTXENFBPVIVSE-UHFFFAOYSA-N
MW477.57 g/mol
LogP2.36
Rot. Bonds7

About N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 171622737) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID171622737
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC NameN-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccnnc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(CC(C)(C)O)CC2)cc1
InChIInChI=1S/C25H31N7O3/c1-17-8-11-27-30-22(17)29-20-9-10-26-23(33)21(20)24(34)28-18-4-6-19(7-5-18)32-14-12-31(13-15-32)16-25(2,3)35/h4-11,35H,12-16H2,1-3H3,(H,28,34)(H2,26,29,30,33)
InChIKeyQLTXENFBPVIVSE-UHFFFAOYSA-N
XLogP2.36
TPSA126.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
CID 171622534
N-[4-[4-(3-methoxypropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
CID 171622574
N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
CID 171622613
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-[[3-(trifluoromethoxy)-2-pyridinyl]amino]-1H-pyridine-3-carboxamide
CID 171622784
4-[[4-(2-methoxyethyl)-3-pyridinyl]amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622575
4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622693
4-[(6-chloro-4-methyl-3-pyridinyl)amino]-2-oxo-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-1H-pyridine-3-carboxamide
CID 171622694
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-[(1-oxo-2H-isoquinolin-6-yl)amino]-1H-pyridine-3-carboxamide
CID 171622477
4-[[4-(2-hydroxypropyl)-3-pyridinyl]amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622491
N,N-dimethyl-4-[4-[[4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-1H-pyridine-3-carbonyl]amino]phenyl]piperazine-1-carboxamide
CID 171622333
4-[(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)amino]-2-oxo-N-(4-piperazin-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 171622145
4-[(4,8-dimethyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622754

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide (CID 171622737) is N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccnnc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(CC(C)(C)O)CC2)cc1.
What is the InChIKey of N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QLTXENFBPVIVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-17-8-11-27-30-22(17)29-20-9-10-26-23(33)21(20)24(34)28-18-4-6-19(7-5-18)32-14-12-31(13-15-32)16-25(2,3)35/h4-11,35H,12-16H2,1-3H3,(H,28,34)(H2,26,29,30,33).
What are the key properties of N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 2.36, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171622737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).