N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

C26H29N5O2 — CID 91919776

IUPACN-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1Cn2cccc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C26H29N5O2/c32-25(28-22-10-14-29(15-11-22)17-20-6-2-1-3-7-20)24-19-30-13-5-9-23(30)26(33)31(24)18-21-8-4-12-27-16-21/h1-9,12-13,16,22,24H,10-11,14-15,17-19H2,(H,28,32)
InChIKeyHUXZAHXINMWNNW-UHFFFAOYSA-N
MW443.55 g/mol
LogP2.69
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91919776) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91919776
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1Cn2cccc2C(=O)N1Cc1cccnc1
InChIInChI=1S/C26H29N5O2/c32-25(28-22-10-14-29(15-11-22)17-20-6-2-1-3-7-20)24-19-30-13-5-9-23(30)26(33)31(24)18-21-8-4-12-27-16-21/h1-9,12-13,16,22,24H,10-11,14-15,17-19H2,(H,28,32)
InChIKeyHUXZAHXINMWNNW-UHFFFAOYSA-N
XLogP2.69
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
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CID 3404052
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91919776) is N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1Cn2cccc2C(=O)N1Cc1cccnc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is HUXZAHXINMWNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c32-25(28-22-10-14-29(15-11-22)17-20-6-2-1-3-7-20)24-19-30-13-5-9-23(30)26(33)31(24)18-21-8-4-12-27-16-21/h1-9,12-13,16,22,24H,10-11,14-15,17-19H2,(H,28,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91919776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).