2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide

C21H27N3O2 — CID 109080007

IUPAC2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-5-16(4)23-20(25)18-11-12-22-19(13-18)21(26)24(15(2)3)14-17-9-7-6-8-10-17/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)
InChIKeyGVZREIWPOSGFSM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.66
Rot. Bonds7

About 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide

2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide (PubChem CID 109080007) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
PubChem CID109080007
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
SMILESCCC(C)NC(=O)c1ccnc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C21H27N3O2/c1-5-16(4)23-20(25)18-11-12-22-19(13-18)21(26)24(15(2)3)14-17-9-7-6-8-10-17/h6-13,15-16H,5,14H2,1-4H3,(H,23,25)
InChIKeyGVZREIWPOSGFSM-UHFFFAOYSA-N
XLogP3.66
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109080088
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
4-N-butan-2-yl-2-N-[2-(3-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109080015
2-N-butan-2-yl-4-N-ethyl-4-N-phenylpyridine-2,4-dicarboxamide
CID 109080221
N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217127
N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217237
4-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730415
2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide (CID 109080007) is 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide is CCC(C)NC(=O)c1ccnc(C(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide?
The InChIKey is GVZREIWPOSGFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-16(4)23-20(25)18-11-12-22-19(13-18)21(26)24(15(2)3)14-17-9-7-6-8-10-17/h6-13,15-16H,5,14H2,1-4H3,(H,23,25).
What are the key properties of 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide?
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).