1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide

C26H42N4O3 — CID 42317901

IUPAC1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)CCn1cc(C(=O)NCC(C)C)c(=O)c(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C26H42N4O3/c1-19(2)8-13-28-17-22(25(32)27-16-20(3)4)24(31)23(18-28)26(33)30-14-9-21(10-15-30)29-11-6-5-7-12-29/h17-21H,5-16H2,1-4H3,(H,27,32)
InChIKeyDNUWYMKOELFBCK-UHFFFAOYSA-N
MW458.65 g/mol
LogP3.37
Rot. Bonds8

About 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide

1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 42317901) has the molecular formula C26H42N4O3 and a molecular weight of 458.65 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
PubChem CID42317901
Molecular FormulaC26H42N4O3
Molecular Weight458.65 g/mol
Exact Mass458.33
IUPAC Name1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)CCn1cc(C(=O)NCC(C)C)c(=O)c(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C26H42N4O3/c1-19(2)8-13-28-17-22(25(32)27-16-20(3)4)24(31)23(18-28)26(33)30-14-9-21(10-15-30)29-11-6-5-7-12-29/h17-21H,5-16H2,1-4H3,(H,27,32)
InChIKeyDNUWYMKOELFBCK-UHFFFAOYSA-N
XLogP3.37
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.65
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide (CID 42317901) is 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide is CC(C)CCn1cc(C(=O)NCC(C)C)c(=O)c(C(=O)N2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is DNUWYMKOELFBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O3/c1-19(2)8-13-28-17-22(25(32)27-16-20(3)4)24(31)23(18-28)26(33)30-14-9-21(10-15-30)29-11-6-5-7-12-29/h17-21H,5-16H2,1-4H3,(H,27,32).
What are the key properties of 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide?
1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 458.65 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-(2-methylpropyl)-4-oxo-5-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 42317901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).