N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide

C16H25N5O2 — CID 14722754

IUPACN-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CC(=O)Nc2c(C)cc(C)nc2C)CCN1
InChIInChI=1S/C16H25N5O2/c1-10-7-11(2)19-12(3)15(10)20-14(22)9-21-6-5-18-13(8-21)16(23)17-4/h7,13,18H,5-6,8-9H2,1-4H3,(H,17,23)(H,20,22)
InChIKeyYAKFKOVBLQHLLU-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.03
Rot. Bonds4

About N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide

N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide (PubChem CID 14722754) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide
PubChem CID14722754
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CC(=O)Nc2c(C)cc(C)nc2C)CCN1
InChIInChI=1S/C16H25N5O2/c1-10-7-11(2)19-12(3)15(10)20-14(22)9-21-6-5-18-13(8-21)16(23)17-4/h7,13,18H,5-6,8-9H2,1-4H3,(H,17,23)(H,20,22)
InChIKeyYAKFKOVBLQHLLU-UHFFFAOYSA-N
XLogP-0.03
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide (CID 14722754) is N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide is CNC(=O)C1CN(CC(=O)Nc2c(C)cc(C)nc2C)CCN1.
What is the InChIKey of N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide?
The InChIKey is YAKFKOVBLQHLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-10-7-11(2)19-12(3)15(10)20-14(22)9-21-6-5-18-13(8-21)16(23)17-4/h7,13,18H,5-6,8-9H2,1-4H3,(H,17,23)(H,20,22).
What are the key properties of N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide?
N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-oxo-2-[(2,4,6-trimethyl-3-pyridinyl)amino]ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 14722754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).