2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide

C21H24N4O4 — CID 167008521

IUPAC2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide
SMILESCNC(=O)CCC(C=O)NC(=O)c1ccc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C21H24N4O4/c1-14(15-6-4-3-5-7-15)24-20(28)16-8-10-18(23-12-16)21(29)25-17(13-26)9-11-19(27)22-2/h3-8,10,12-14,17H,9,11H2,1-2H3,(H,22,27)(H,24,28)(H,25,29)
InChIKeyQSZMKDNXZKFSEM-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.40
Rot. Bonds9

About 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide

2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide (PubChem CID 167008521) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide
PubChem CID167008521
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide
SMILESCNC(=O)CCC(C=O)NC(=O)c1ccc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C21H24N4O4/c1-14(15-6-4-3-5-7-15)24-20(28)16-8-10-18(23-12-16)21(29)25-17(13-26)9-11-19(27)22-2/h3-8,10,12-14,17H,9,11H2,1-2H3,(H,22,27)(H,24,28)(H,25,29)
InChIKeyQSZMKDNXZKFSEM-UHFFFAOYSA-N
XLogP1.40
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 43414636
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938
6-(ethylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 62165290
6-[(4-chlorophenyl)methylamino]-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156184
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide
CID 166210961
6-(pentylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156212
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide (CID 167008521) is 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide is CNC(=O)CCC(C=O)NC(=O)c1ccc(C(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide?
The InChIKey is QSZMKDNXZKFSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14(15-6-4-3-5-7-15)24-20(28)16-8-10-18(23-12-16)21(29)25-17(13-26)9-11-19(27)22-2/h3-8,10,12-14,17H,9,11H2,1-2H3,(H,22,27)(H,24,28)(H,25,29).
What are the key properties of 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide?
2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-5-N-(1-phenylethyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 167008521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).