N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide

C21H21N5O2 — CID 4653849

IUPACN-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCc1ccncc1
InChIInChI=1S/C21H21N5O2/c27-20(25-14-17-6-9-22-10-7-17)8-13-26(16-18-4-2-1-3-5-18)21(28)19-15-23-11-12-24-19/h1-7,9-12,15H,8,13-14,16H2,(H,25,27)
InChIKeyIZZQRCKGDDTUEG-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.22
Rot. Bonds8

About N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide

N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide (PubChem CID 4653849) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
PubChem CID4653849
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide
SMILESO=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCc1ccncc1
InChIInChI=1S/C21H21N5O2/c27-20(25-14-17-6-9-22-10-7-17)8-13-26(16-18-4-2-1-3-5-18)21(28)19-15-23-11-12-24-19/h1-7,9-12,15H,8,13-14,16H2,(H,25,27)
InChIKeyIZZQRCKGDDTUEG-UHFFFAOYSA-N
XLogP2.22
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-[3-(benzylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4143775
N-benzyl-N-[3-oxo-3-(2-phenylethylamino)propyl]pyrazine-2-carboxamide
CID 5083778
N-benzyl-N-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362225
N-benzyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7362227
N-benzyl-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 4068337
N-[3-(benzylamino)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 5204065
N-[3-oxo-3-(propan-2-ylamino)propyl]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 4190134
N-benzyl-N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylamino]-3-oxopropyl]pyrazine-2-carboxamide
CID 7495019
N-benzyl-N-[3-(4-carbamoylpiperidin-1-yl)-3-oxopropyl]pyrazine-2-carboxamide
CID 1031586
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
N-(3-methylbutyl)-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]pyrazine-2-carboxamide
CID 42783168
N-(2-methylpropyl)-N-[3-oxo-3-[[(2R)-4-phenylbutan-2-yl]amino]propyl]pyrazine-2-carboxamide
CID 7416160

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide (CID 4653849) is N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide is O=C(CCN(Cc1ccccc1)C(=O)c1cnccn1)NCc1ccncc1.
What is the InChIKey of N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide?
The InChIKey is IZZQRCKGDDTUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(25-14-17-6-9-22-10-7-17)8-13-26(16-18-4-2-1-3-5-18)21(28)19-15-23-11-12-24-19/h1-7,9-12,15H,8,13-14,16H2,(H,25,27).
What are the key properties of N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide?
N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]pyrazine-2-carboxamide is sourced from PubChem (CID 4653849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).