5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide

C23H32N4O — CID 166045151

IUPAC5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)c1ccc(C(=O)NCC2CCN(c3ccc(C(C)C)cn3)CC2)nc1
InChIInChI=1S/C23H32N4O/c1-16(2)19-5-7-21(24-14-19)23(28)26-13-18-9-11-27(12-10-18)22-8-6-20(15-25-22)17(3)4/h5-8,14-18H,9-13H2,1-4H3,(H,26,28)
InChIKeyDTRSZFMEYHKKJM-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.37
Rot. Bonds6

About 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide

5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 166045151) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
PubChem CID166045151
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)c1ccc(C(=O)NCC2CCN(c3ccc(C(C)C)cn3)CC2)nc1
InChIInChI=1S/C23H32N4O/c1-16(2)19-5-7-21(24-14-19)23(28)26-13-18-9-11-27(12-10-18)22-8-6-20(15-25-22)17(3)4/h5-8,14-18H,9-13H2,1-4H3,(H,26,28)
InChIKeyDTRSZFMEYHKKJM-UHFFFAOYSA-N
XLogP4.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-propan-2-yl-2-[4-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 166112036
N-[[1-[5-(1-aminoethyl)-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736472
N-[[1-[5-[(1R)-1-aminoethyl]-2-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 102736481
2-[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]ethanamine
CID 141263787
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
5-amino-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 81316570
3-methyl-1-[6-[4-[3-oxo-3-(5-propan-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyridazin-3-yl]butan-2-one
CID 167644990
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
1-(5-propan-2-yl-2-pyridinyl)pyrrolidin-3-amine
CID 59410271
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
N-(cyclopropylmethyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642346

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide (CID 166045151) is 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide is CC(C)c1ccc(C(=O)NCC2CCN(c3ccc(C(C)C)cn3)CC2)nc1.
What is the InChIKey of 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is DTRSZFMEYHKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-16(2)19-5-7-21(24-14-19)23(28)26-13-18-9-11-27(12-10-18)22-8-6-20(15-25-22)17(3)4/h5-8,14-18H,9-13H2,1-4H3,(H,26,28).
What are the key properties of 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide?
5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 166045151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).