5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide

C21H29N5O2 — CID 10475062

IUPAC5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide
SMILESCC(C)N(CCNC(=O)c1ccc(C(=O)Nc2ccccc2N)cn1)C(C)C
InChIInChI=1S/C21H29N5O2/c1-14(2)26(15(3)4)12-11-23-21(28)19-10-9-16(13-24-19)20(27)25-18-8-6-5-7-17(18)22/h5-10,13-15H,11-12,22H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyOEOYMWSNZFATEA-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.76
Rot. Bonds8

About 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide

5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide (PubChem CID 10475062) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide
PubChem CID10475062
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide
SMILESCC(C)N(CCNC(=O)c1ccc(C(=O)Nc2ccccc2N)cn1)C(C)C
InChIInChI=1S/C21H29N5O2/c1-14(2)26(15(3)4)12-11-23-21(28)19-10-9-16(13-24-19)20(27)25-18-8-6-5-7-17(18)22/h5-10,13-15H,11-12,22H2,1-4H3,(H,23,28)(H,25,27)
InChIKeyOEOYMWSNZFATEA-UHFFFAOYSA-N
XLogP2.76
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide (CID 10475062) is 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide is CC(C)N(CCNC(=O)c1ccc(C(=O)Nc2ccccc2N)cn1)C(C)C.
What is the InChIKey of 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide?
The InChIKey is OEOYMWSNZFATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14(2)26(15(3)4)12-11-23-21(28)19-10-9-16(13-24-19)20(27)25-18-8-6-5-7-17(18)22/h5-10,13-15H,11-12,22H2,1-4H3,(H,23,28)(H,25,27).
What are the key properties of 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide?
5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminophenyl)-2-N-[2-[di(propan-2-yl)amino]ethyl]pyridine-2,5-dicarboxamide is sourced from PubChem (CID 10475062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).