6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide

C30H33N7O3 — CID 91450089

IUPAC6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)nc2)cccc1-c1c[nH]c(=O)c(N(c2cccnn2)N2CCOCC2)c1
InChIInChI=1S/C30H33N7O3/c1-20-23(7-5-8-24(20)34-28(38)21-10-11-26(31-18-21)30(2,3)4)22-17-25(29(39)32-19-22)37(27-9-6-12-33-35-27)36-13-15-40-16-14-36/h5-12,17-19H,13-16H2,1-4H3,(H,32,39)(H,34,38)
InChIKeyZYWAIARGWJOMKO-UHFFFAOYSA-N
MW539.64 g/mol
LogP4.47
Rot. Bonds6

About 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide

6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide (PubChem CID 91450089) has the molecular formula C30H33N7O3 and a molecular weight of 539.64 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide
PubChem CID91450089
Molecular FormulaC30H33N7O3
Molecular Weight539.64 g/mol
Exact Mass539.26
IUPAC Name6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide
SMILESCc1c(NC(=O)c2ccc(C(C)(C)C)nc2)cccc1-c1c[nH]c(=O)c(N(c2cccnn2)N2CCOCC2)c1
InChIInChI=1S/C30H33N7O3/c1-20-23(7-5-8-24(20)34-28(38)21-10-11-26(31-18-21)30(2,3)4)22-17-25(29(39)32-19-22)37(27-9-6-12-33-35-27)36-13-15-40-16-14-36/h5-12,17-19H,13-16H2,1-4H3,(H,32,39)(H,34,38)
InChIKeyZYWAIARGWJOMKO-UHFFFAOYSA-N
XLogP4.47
TPSA116.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.64
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-tert-butyl-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]pyridine-3-carboxamide
CID 11852095
N-[3-[5-[[[4-amino-5-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyridinyl]amino]methyl]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]-4-tert-butylbenzamide
CID 68857150
4-tert-butyl-N-[2-methyl-3-[6-oxo-5-[[[5-(4-propan-2-ylpiperazin-1-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-3-yl]phenyl]benzamide
CID 68855398
4-[[6-[3-[(6-tert-butylpyridine-3-carbonyl)amino]-2-methylphenyl]-4-methyl-3-oxopyrazin-2-yl]amino]benzoic acid
CID 66895560
4-tert-butyl-N-[2-methyl-3-[5-[(6-morpholin-4-ylpyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]benzamide;N-[2-methyl-3-[1-methyl-6-oxo-5-(pyridin-2-ylamino)-3-pyridinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 90696308
4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
CID 160670723
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
4-tert-butyl-N-[5-(4-methyl-3-pyridinyl)-2-oxo-1H-pyridin-3-yl]benzamide
CID 58692562
4-(dimethylamino)-N-[3-[5-[2-(dimethylamino)ethylcarbamoylamino]-6-oxo-1H-pyridin-3-yl]-2-methylphenyl]benzamide
CID 143795824
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[(2-morpholin-4-ylpyrimidin-4-yl)amino]-6-oxopyridazin-3-yl]phenyl]benzamide
CID 25265731
4-methoxy-N-[3-[3-[[4-methoxy-5-(morpholin-4-ylmethyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-5-(morpholin-4-ylmethyl)pyridine-2-carboxamide;molecular hydrogen
CID 153331960
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 136518690

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide (CID 91450089) is 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide is Cc1c(NC(=O)c2ccc(C(C)(C)C)nc2)cccc1-c1c[nH]c(=O)c(N(c2cccnn2)N2CCOCC2)c1.
What is the InChIKey of 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZYWAIARGWJOMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3/c1-20-23(7-5-8-24(20)34-28(38)21-10-11-26(31-18-21)30(2,3)4)22-17-25(29(39)32-19-22)37(27-9-6-12-33-35-27)36-13-15-40-16-14-36/h5-12,17-19H,13-16H2,1-4H3,(H,32,39)(H,34,38).
What are the key properties of 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide?
6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 539.64 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[2-methyl-3-[5-[morpholin-4-yl(pyridazin-3-yl)amino]-6-oxo-1H-pyridin-3-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 91450089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).