tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C24H28N4O5 — CID 166477180

IUPACtert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cnc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(C)n2)cc1
InChIInChI=1S/C24H28N4O5/c1-15-20(16-10-12-28(13-11-16)23(31)33-24(2,3)4)25-14-19(26-15)27-21(29)17-6-8-18(9-7-17)22(30)32-5/h6-10,14H,11-13H2,1-5H3,(H,26,27,29)
InChIKeyQCGRNNULUUNKTC-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.85
Rot. Bonds4

About tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 166477180) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID166477180
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Nametert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2cnc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(C)n2)cc1
InChIInChI=1S/C24H28N4O5/c1-15-20(16-10-12-28(13-11-16)23(31)33-24(2,3)4)25-14-19(26-15)27-21(29)17-6-8-18(9-7-17)22(30)32-5/h6-10,14H,11-13H2,1-5H3,(H,26,27,29)
InChIKeyQCGRNNULUUNKTC-UHFFFAOYSA-N
XLogP3.85
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[4-(methylcarbamoyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 149339424
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
tert-butyl 4-(2-ethyl-4-methoxycarbonylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 130211477
4-[[3-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]carbamoyl]benzoic acid
CID 172815162
tert-butyl 4-(2,5-dichloropyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171627326
tert-butyl 4-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177300851
tert-butyl 4-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]phthalazin-1-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 11848248
tert-butyl 4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170565077
tert-butyl 4-(5-bromopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122482495
tert-butyl 4-(2-fluoro-4-methoxycarbonyl-6-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177300742
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]quinazoline-7-carboxylic acid
CID 139469222
tert-butyl 4-[2-amino-5-(6-amino-3-pyridinyl)-6-methylpyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 70671675

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 166477180) is tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)c1ccc(C(=O)Nc2cnc(C3=CCN(C(=O)OC(C)(C)C)CC3)c(C)n2)cc1.
What is the InChIKey of tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is QCGRNNULUUNKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-15-20(16-10-12-28(13-11-16)23(31)33-24(2,3)4)25-14-19(26-15)27-21(29)17-6-8-18(9-7-17)22(30)32-5/h6-10,14H,11-13H2,1-5H3,(H,26,27,29).
What are the key properties of tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 452.51 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[(4-methoxycarbonylbenzoyl)amino]-3-methylpyrazin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 166477180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).