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

About 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

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 (PubChem CID 171622333) has the molecular formula C27H32N8O4 and a molecular weight of 532.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	171622333
Molecular Formula	C27H32N8O4
Molecular Weight	532.61 g/mol
Exact Mass	532.25
IUPAC Name	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
SMILES	Cc1c(Nc2cc[nH]c(=O)c2C(=O)Nc2ccc(N3CCN(C(=O)N(C)C)CC3)cc2)cnc2c1NCCO2
InChI	InChI=1S/C27H32N8O4/c1-17-21(16-30-26-23(17)28-10-15-39-26)32-20-8-9-29-24(36)22(20)25(37)31-18-4-6-19(7-5-18)34-11-13-35(14-12-34)27(38)33(2)3/h4-9,16,28H,10-15H2,1-3H3,(H,31,37)(H2,29,32,36)
InChIKey	OLTJPJLHVHNOJE-UHFFFAOYSA-N
XLogP	2.68
TPSA	134.93 Å²
H-Bond Donors	4
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.61
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	4
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,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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1c(Nc2cc[nH]c(=O)c2C(=O)Nc2ccc(N3CCN(C(=O)N(C)C)CC3)cc2)cnc2c1NCCO2.

What is the InChIKey of 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?

The InChIKey is OLTJPJLHVHNOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O4/c1-17-21(16-30-26-23(17)28-10-15-39-26)32-20-8-9-29-24(36)22(20)25(37)31-18-4-6-19(7-5-18)34-11-13-35(14-12-34)27(38)33(2)3/h4-9,16,28H,10-15H2,1-3H3,(H,31,37)(H2,29,32,36).

What are the key properties of 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?

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 has a molecular weight of 532.61 g/mol, XLogP of 2.68, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 171622333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).