3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide

C19H25N5O — CID 60552065

IUPAC3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
SMILESCC1CCN(C(CNC(=O)c2nccnc2N)c2ccccc2)CC1
InChIInChI=1S/C19H25N5O/c1-14-7-11-24(12-8-14)16(15-5-3-2-4-6-15)13-23-19(25)17-18(20)22-10-9-21-17/h2-6,9-10,14,16H,7-8,11-13H2,1H3,(H2,20,22)(H,23,25)
InChIKeyKHNYNJQERDPYQD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.26
Rot. Bonds5

About 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide

3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide (PubChem CID 60552065) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
PubChem CID60552065
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide
SMILESCC1CCN(C(CNC(=O)c2nccnc2N)c2ccccc2)CC1
InChIInChI=1S/C19H25N5O/c1-14-7-11-24(12-8-14)16(15-5-3-2-4-6-15)13-23-19(25)17-18(20)22-10-9-21-17/h2-6,9-10,14,16H,7-8,11-13H2,1H3,(H2,20,22)(H,23,25)
InChIKeyKHNYNJQERDPYQD-UHFFFAOYSA-N
XLogP2.26
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504562
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]acetamide
CID 46979800
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
5-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1H-pyrazole-3-carboxamide
CID 60552154
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 55950744
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 60551856
2-(methoxymethyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1,3-thiazole-5-carboxamide
CID 138997085
3-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 42940363
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
CID 120612631

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide (CID 60552065) is 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide is CC1CCN(C(CNC(=O)c2nccnc2N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide?
The InChIKey is KHNYNJQERDPYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-7-11-24(12-8-14)16(15-5-3-2-4-6-15)13-23-19(25)17-18(20)22-10-9-21-17/h2-6,9-10,14,16H,7-8,11-13H2,1H3,(H2,20,22)(H,23,25).
What are the key properties of 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide?
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 60552065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).