N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide

C13H18N4O2 — CID 64667795

IUPACN-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC2CCC(=O)N(C)C2)ccn1
InChIInChI=1S/C13H18N4O2/c1-14-13(19)11-7-9(5-6-15-11)16-10-3-4-12(18)17(2)8-10/h5-7,10H,3-4,8H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyBMDNNBXWDVZIOH-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.47
Rot. Bonds3

About N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide

N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide (PubChem CID 64667795) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
PubChem CID64667795
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC2CCC(=O)N(C)C2)ccn1
InChIInChI=1S/C13H18N4O2/c1-14-13(19)11-7-9(5-6-15-11)16-10-3-4-12(18)17(2)8-10/h5-7,10H,3-4,8H2,1-2H3,(H,14,19)(H,15,16)
InChIKeyBMDNNBXWDVZIOH-UHFFFAOYSA-N
XLogP0.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide (CID 64667795) is N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide is CNC(=O)c1cc(NC2CCC(=O)N(C)C2)ccn1.
What is the InChIKey of N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is BMDNNBXWDVZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-14-13(19)11-7-9(5-6-15-11)16-10-3-4-12(18)17(2)8-10/h5-7,10H,3-4,8H2,1-2H3,(H,14,19)(H,15,16).
What are the key properties of N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide?
N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 64667795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).