N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide

About N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 171622613) has the molecular formula C27H34N8O2 and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID	171622613
Molecular Formula	C27H34N8O2
Molecular Weight	502.62 g/mol
Exact Mass	502.28
IUPAC Name	N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide
SMILES	Cc1ccnnc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCC(N3CCN(C)CC3)CC2)cc1
InChI	InChI=1S/C27H34N8O2/c1-19-7-12-29-32-25(19)31-23-8-11-28-26(36)24(23)27(37)30-20-3-5-21(6-4-20)34-13-9-22(10-14-34)35-17-15-33(2)16-18-35/h3-8,11-12,22H,9-10,13-18H2,1-2H3,(H,30,37)(H2,28,31,32,36)
InChIKey	MKLYVAKPWCSIPH-UHFFFAOYSA-N
XLogP	2.69
TPSA	109.49 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 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) is N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccnnc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCC(N3CCN(C)CC3)CC2)cc1.

What is the InChIKey of N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?

The InChIKey is MKLYVAKPWCSIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2/c1-19-7-12-29-32-25(19)31-23-8-11-28-26(36)24(23)27(37)30-20-3-5-21(6-4-20)34-13-9-22(10-14-34)35-17-15-33(2)16-18-35/h3-8,11-12,22H,9-10,13-18H2,1-2H3,(H,30,37)(H2,28,31,32,36).

What are the key properties of N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide?

N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(4-methylpyridazin-3-yl)amino]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 171622613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).