[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid

C23H21N5O3 — CID 57376679

IUPAC[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc(NC(c2ccccc2)c2ccccc2)c2[nH]c(=O)cnc2n1
InChIInChI=1S/C23H21N5O3/c1-2-28(23(30)31)18-13-17(21-22(26-18)24-14-19(29)27-21)25-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,2H2,1H3,(H,27,29)(H,30,31)(H,24,25,26)
InChIKeyQQJNJKUROCIFML-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.02
Rot. Bonds6

About [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid

[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid (PubChem CID 57376679) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid.

Molecular Properties

Compound Name[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid
PubChem CID57376679
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc(NC(c2ccccc2)c2ccccc2)c2[nH]c(=O)cnc2n1
InChIInChI=1S/C23H21N5O3/c1-2-28(23(30)31)18-13-17(21-22(26-18)24-14-19(29)27-21)25-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,2H2,1H3,(H,27,29)(H,30,31)(H,24,25,26)
InChIKeyQQJNJKUROCIFML-UHFFFAOYSA-N
XLogP4.02
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5,6-diamino-4-(benzhydrylamino)-2-pyridinyl]-N-ethylcarbamate
CID 57349583
N-[6-amino-4-(benzhydrylamino)-5-nitro-2-pyridinyl]-N-ethylcarbamate
CID 57352309
N-ethyl-N-phenyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189023
[6-amino-4-(4-chloroanilino)-5-nitro-2-pyridinyl]-ethylcarbamic acid
CID 57375744
(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid
CID 57371806
2-(benzhydrylamino)-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-6-one
CID 136779907
N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
N-ethyl-4-methyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzamide
CID 11210607
5-chloro-N-ethyl-N-phenyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62020747
N-benzhydryl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2212940
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
N-ethyl-N-(3-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189083

Frequently Asked Questions

What is the IUPAC name of [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid?
The IUPAC name of [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid (CID 57376679) is [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid.
What is the SMILES notation for [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid?
The canonical SMILES for [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid is CCN(C(=O)O)c1cc(NC(c2ccccc2)c2ccccc2)c2[nH]c(=O)cnc2n1.
What is the InChIKey of [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid?
The InChIKey is QQJNJKUROCIFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-2-28(23(30)31)18-13-17(21-22(26-18)24-14-19(29)27-21)25-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,20H,2H2,1H3,(H,27,29)(H,30,31)(H,24,25,26).
What are the key properties of [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid?
[8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid has a molecular weight of 415.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(benzhydrylamino)-2-oxo-1H-pyrido[2,3-b]pyrazin-6-yl]-ethylcarbamic acid is sourced from PubChem (CID 57376679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).