N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

C16H22N4O — CID 104516047

IUPACN-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1CC)c1nccnc1OC
InChIInChI=1S/C16H22N4O/c1-4-7-18-14(13-6-8-17-11-12(13)5-2)15-16(21-3)20-10-9-19-15/h6,8-11,14,18H,4-5,7H2,1-3H3
InChIKeyZUSWKNFAJNPNEU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.53
Rot. Bonds7

About N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 104516047) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID104516047
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccncc1CC)c1nccnc1OC
InChIInChI=1S/C16H22N4O/c1-4-7-18-14(13-6-8-17-11-12(13)5-2)15-16(21-3)20-10-9-19-15/h6,8-11,14,18H,4-5,7H2,1-3H3
InChIKeyZUSWKNFAJNPNEU-UHFFFAOYSA-N
XLogP2.53
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-4-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516045
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032074
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
N-[(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031988
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 102812782
N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032207
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105178702
N-[(2-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105164386
N-[[(1E)-cycloocten-1-yl]-(3-ethyl-4-pyridinyl)methyl]propan-1-amine
CID 106654247

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 104516047) is N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1ccncc1CC)c1nccnc1OC.
What is the InChIKey of N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is ZUSWKNFAJNPNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-7-18-14(13-6-8-17-11-12(13)5-2)15-16(21-3)20-10-9-19-15/h6,8-11,14,18H,4-5,7H2,1-3H3.
What are the key properties of N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104516047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).