benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate

C22H21N5O2 — CID 91494646

IUPACbenzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCC1=Nc2cc(NC(=O)OCc3ccccc3)nc(N)c2NC1c1ccccc1
InChIInChI=1S/C22H21N5O2/c1-14-19(16-10-6-3-7-11-16)27-20-17(24-14)12-18(25-21(20)23)26-22(28)29-13-15-8-4-2-5-9-15/h2-12,19,27H,13H2,1H3,(H3,23,25,26,28)
InChIKeyXUJFAWDNEBICEG-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.67
Rot. Bonds4

About benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate

benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate (PubChem CID 91494646) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
PubChem CID91494646
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Namebenzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate
SMILESCC1=Nc2cc(NC(=O)OCc3ccccc3)nc(N)c2NC1c1ccccc1
InChIInChI=1S/C22H21N5O2/c1-14-19(16-10-6-3-7-11-16)27-20-17(24-14)12-18(25-21(20)23)26-22(28)29-13-15-8-4-2-5-9-15/h2-12,19,27H,13H2,1H3,(H3,23,25,26,28)
InChIKeyXUJFAWDNEBICEG-UHFFFAOYSA-N
XLogP4.67
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(6-chloro-2-cyclononylpyrimidin-4-yl)carbamate
CID 139393302
benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
CID 121232006
6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
CID 63643408
benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate
CID 164880400
5-methyl-2-(phenylmethoxycarbonylamino)-1H-pyrrole-3-carboxylic acid
CID 167716374
benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
(4-methylphenyl)methyl (4R)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 695424
benzyl N-(1-tert-butyl-2-oxopyrimidin-4-yl)carbamate
CID 118527129
benzyl N-(4-cyclopropyl-1-methylbenzimidazol-2-yl)carbamate
CID 90878995
benzyl N-[6-[3-[6-(phenylmethoxycarbonylamino)pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]carbamate
CID 123725995
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The IUPAC name of benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate (CID 91494646) is benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate.
What is the SMILES notation for benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The canonical SMILES for benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate is CC1=Nc2cc(NC(=O)OCc3ccccc3)nc(N)c2NC1c1ccccc1.
What is the InChIKey of benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
The InChIKey is XUJFAWDNEBICEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-19(16-10-6-3-7-11-16)27-20-17(24-14)12-18(25-21(20)23)26-22(28)29-13-15-8-4-2-5-9-15/h2-12,19,27H,13H2,1H3,(H3,23,25,26,28).
What are the key properties of benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate?
benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate has a molecular weight of 387.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-amino-2-methyl-3-phenyl-3,4-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate is sourced from PubChem (CID 91494646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).