N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide

C21H25N5O2 — CID 167759112

IUPACN-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C21H25N5O2/c1-26(13-14-6-8-22-9-7-14)21(28)19-12-23-18(11-24-19)16-2-4-17-15(10-16)3-5-20(27)25-17/h2,4,10-12,14,22H,3,5-9,13H2,1H3,(H,25,27)
InChIKeyYQHVKBAHYXTUMX-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.10
Rot. Bonds4

About N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide

N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 167759112) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID167759112
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3c(c2)CCC(=O)N3)cn1
InChIInChI=1S/C21H25N5O2/c1-26(13-14-6-8-22-9-7-14)21(28)19-12-23-18(11-24-19)16-2-4-17-15(10-16)3-5-20(27)25-17/h2,4,10-12,14,22H,3,5-9,13H2,1H3,(H,25,27)
InChIKeyYQHVKBAHYXTUMX-UHFFFAOYSA-N
XLogP2.10
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide (CID 167759112) is N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide is CN(CC1CCNCC1)C(=O)c1cnc(-c2ccc3c(c2)CCC(=O)N3)cn1.
What is the InChIKey of N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is YQHVKBAHYXTUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-26(13-14-6-8-22-9-7-14)21(28)19-12-23-18(11-24-19)16-2-4-17-15(10-16)3-5-20(27)25-17/h2,4,10-12,14,22H,3,5-9,13H2,1H3,(H,25,27).
What are the key properties of N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide?
N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 167759112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).