N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide

C18H29N5O2 — CID 46381980

IUPACN-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NC(=O)CC)cnc1N1CCNCC1
InChIInChI=1S/C18H29N5O2/c1-4-6-9-22(3)18(25)15-12-14(21-16(24)5-2)13-20-17(15)23-10-7-19-8-11-23/h12-13,19H,4-11H2,1-3H3,(H,21,24)
InChIKeyQZOXGSOZZATQKH-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.71
Rot. Bonds7

About N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide

N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide (PubChem CID 46381980) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide
PubChem CID46381980
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(NC(=O)CC)cnc1N1CCNCC1
InChIInChI=1S/C18H29N5O2/c1-4-6-9-22(3)18(25)15-12-14(21-16(24)5-2)13-20-17(15)23-10-7-19-8-11-23/h12-13,19H,4-11H2,1-3H3,(H,21,24)
InChIKeyQZOXGSOZZATQKH-UHFFFAOYSA-N
XLogP1.71
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide (CID 46381980) is N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide is CCCCN(C)C(=O)c1cc(NC(=O)CC)cnc1N1CCNCC1.
What is the InChIKey of N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide?
The InChIKey is QZOXGSOZZATQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-6-9-22(3)18(25)15-12-14(21-16(24)5-2)13-20-17(15)23-10-7-19-8-11-23/h12-13,19H,4-11H2,1-3H3,(H,21,24).
What are the key properties of N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide?
N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-piperazin-1-yl-5-(propanoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 46381980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).