N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

C19H24N4O3 — CID 167894520

IUPACN-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
SMILESCCOc1ccc([C@H](COC)NC(=O)N2CCc3nccnc3C2)cc1
InChIInChI=1S/C19H24N4O3/c1-3-26-15-6-4-14(5-7-15)18(13-25-2)22-19(24)23-11-8-16-17(12-23)21-10-9-20-16/h4-7,9-10,18H,3,8,11-13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyVVTPHWXKMQRRLC-SFHVURJKSA-N
MW356.43 g/mol
LogP2.33
Rot. Bonds6

About N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide

N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide (PubChem CID 167894520) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
PubChem CID167894520
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide
SMILESCCOc1ccc([C@H](COC)NC(=O)N2CCc3nccnc3C2)cc1
InChIInChI=1S/C19H24N4O3/c1-3-26-15-6-4-14(5-7-15)18(13-25-2)22-19(24)23-11-8-16-17(12-23)21-10-9-20-16/h4-7,9-10,18H,3,8,11-13H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyVVTPHWXKMQRRLC-SFHVURJKSA-N
XLogP2.33
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]thiomorpholine-4-carboxamide
CID 124847644
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]pyrazine-2-carboxamide
CID 124854277
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-2-methylpyrazole-3-carboxamide
CID 100646270
N-(2-methoxy-1-phenylethyl)-4-(3-methylpyrazin-2-yl)piperazine-1-carboxamide
CID 154801380
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 119052898
N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]-6-methylpyridine-3-carboxamide
CID 124730066
(2R)-N-[(1S)-1-(4-ethoxyphenyl)-2-methoxyethyl]oxolane-2-carboxamide
CID 124881098
4-[[[1-(4-ethoxyphenyl)-2-methoxyethyl]amino]methyl]benzoic acid
CID 122034082
methyl N-[5-[(4-ethoxyphenyl)carbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529132
N-[1-(4-ethoxyphenyl)-2-methoxyethyl]prop-2-yn-1-amine
CID 122134000
N-[(1R)-1-[4-(difluoromethoxy)phenyl]propyl]-2-[(2R)-3-hydroxy-2-methylpropyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 162001853
N-(4-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90530128

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide (CID 167894520) is N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide is CCOc1ccc([C@H](COC)NC(=O)N2CCc3nccnc3C2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
The InChIKey is VVTPHWXKMQRRLC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-26-15-6-4-14(5-7-15)18(13-25-2)22-19(24)23-11-8-16-17(12-23)21-10-9-20-16/h4-7,9-10,18H,3,8,11-13H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide?
N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)-2-methoxyethyl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-6-carboxamide is sourced from PubChem (CID 167894520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).