N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide

C18H30N4O2 — CID 82031741

IUPACN-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide
SMILESCC1CCN(c2ccc(=O)n(C(C(=O)NCCN)C(C)C)c2)CC1
InChIInChI=1S/C18H30N4O2/c1-13(2)17(18(24)20-9-8-19)22-12-15(4-5-16(22)23)21-10-6-14(3)7-11-21/h4-5,12-14,17H,6-11,19H2,1-3H3,(H,20,24)
InChIKeyDEYUYMTVPBWEQZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.36
Rot. Bonds6

About N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide

N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide (PubChem CID 82031741) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide
PubChem CID82031741
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide
SMILESCC1CCN(c2ccc(=O)n(C(C(=O)NCCN)C(C)C)c2)CC1
InChIInChI=1S/C18H30N4O2/c1-13(2)17(18(24)20-9-8-19)22-12-15(4-5-16(22)23)21-10-6-14(3)7-11-21/h4-5,12-14,17H,6-11,19H2,1-3H3,(H,20,24)
InChIKeyDEYUYMTVPBWEQZ-UHFFFAOYSA-N
XLogP1.36
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide?
The IUPAC name of N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide (CID 82031741) is N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide?
The canonical SMILES for N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide is CC1CCN(c2ccc(=O)n(C(C(=O)NCCN)C(C)C)c2)CC1.
What is the InChIKey of N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide?
The InChIKey is DEYUYMTVPBWEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)17(18(24)20-9-8-19)22-12-15(4-5-16(22)23)21-10-6-14(3)7-11-21/h4-5,12-14,17H,6-11,19H2,1-3H3,(H,20,24).
What are the key properties of N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide?
N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide has a molecular weight of 334.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-methyl-2-[5-(4-methylpiperidin-1-yl)-2-oxo-1-pyridinyl]butanamide is sourced from PubChem (CID 82031741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).