2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid

C18H23N5O2 — CID 72858935

IUPAC2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
SMILESCN(Cc1cnccn1)C(C(=O)O)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H23N5O2/c1-22(13-15-12-19-7-8-20-15)17(18(24)25)14-5-6-16(21-11-14)23-9-3-2-4-10-23/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,24,25)
InChIKeyIGHYTYANQJGKHE-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.12
Rot. Bonds6

About 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid

2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid (PubChem CID 72858935) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
PubChem CID72858935
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
SMILESCN(Cc1cnccn1)C(C(=O)O)c1ccc(N2CCCCC2)nc1
InChIInChI=1S/C18H23N5O2/c1-22(13-15-12-19-7-8-20-15)17(18(24)25)14-5-6-16(21-11-14)23-9-3-2-4-10-23/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,24,25)
InChIKeyIGHYTYANQJGKHE-UHFFFAOYSA-N
XLogP2.12
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid
CID 97204051
2-(6-piperidin-1-yl-3-pyridinyl)-2-thiomorpholin-4-ylacetic acid
CID 72931809
(2S)-2-(6-piperidin-1-yl-3-pyridinyl)-2-(4-pyridin-4-ylpiperazin-1-yl)acetic acid
CID 97203633
1-[6-(azepan-1-yl)-3-pyridinyl]propan-1-ol
CID 102546754
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
2-amino-1-(6-piperidin-1-yl-3-pyridinyl)ethanol
CID 83890136
4-(azepan-1-yl)-N-methyl-4-oxo-N-(pyrazin-2-ylmethyl)butanamide
CID 86286116
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
2-[methyl-(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 119358653
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
3-(6-piperidin-1-yl-3-pyridinyl)prop-2-enoic acid
CID 69116911
2-(3-bromophenyl)-2-[methyl(2-pyrazin-2-ylethyl)amino]acetic acid
CID 154746793

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid?
The IUPAC name of 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid (CID 72858935) is 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid is CN(Cc1cnccn1)C(C(=O)O)c1ccc(N2CCCCC2)nc1.
What is the InChIKey of 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid?
The InChIKey is IGHYTYANQJGKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(13-15-12-19-7-8-20-15)17(18(24)25)14-5-6-16(21-11-14)23-9-3-2-4-10-23/h5-8,11-12,17H,2-4,9-10,13H2,1H3,(H,24,25).
What are the key properties of 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid?
2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid has a molecular weight of 341.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrazin-2-ylmethyl)amino]-2-(6-piperidin-1-yl-3-pyridinyl)acetic acid is sourced from PubChem (CID 72858935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).