5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide

C20H27N3O — CID 109181465

IUPAC5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C20H27N3O/c1-5-16(4)22-20(24)19-12-11-18(13-21-19)23(15(2)3)14-17-9-7-6-8-10-17/h6-13,15-16H,5,14H2,1-4H3,(H,22,24)
InChIKeyCKLJMZYKGUBFAC-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.02
Rot. Bonds7

About 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide (PubChem CID 109181465) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
PubChem CID109181465
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C20H27N3O/c1-5-16(4)22-20(24)19-12-11-18(13-21-19)23(15(2)3)14-17-9-7-6-8-10-17/h6-13,15-16H,5,14H2,1-4H3,(H,22,24)
InChIKeyCKLJMZYKGUBFAC-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[benzyl(ethyl)amino]-N-butan-2-ylpyridine-2-carboxamide
CID 109181423
5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179910
5-[benzyl(propan-2-yl)amino]-N-(2-ethoxyphenyl)pyridine-2-carboxamide
CID 109195480
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478
5-[benzyl(propan-2-yl)amino]-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109195491
[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184622
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
2-(N-benzylanilino)-N-butan-2-ylpyrimidine-5-carboxamide
CID 109248973
[5-[benzyl(propan-2-yl)amino]-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109193808
5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192863
6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine
CID 115939177

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide (CID 109181465) is 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide is CCC(C)NC(=O)c1ccc(N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide?
The InChIKey is CKLJMZYKGUBFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-16(4)22-20(24)19-12-11-18(13-21-19)23(15(2)3)14-17-9-7-6-8-10-17/h6-13,15-16H,5,14H2,1-4H3,(H,22,24).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-butan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109181465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).