3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide

C20H30N4O2 — CID 51125054

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)CN1CCCC(C)C1
InChIInChI=1S/C20H30N4O2/c1-13-6-5-9-24(11-13)12-14(2)22-19(25)8-7-17-15(3)18(10-21)20(26)23-16(17)4/h13-14H,5-9,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyCFCUVQQJLWWLBR-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.03
Rot. Bonds6

About 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide (PubChem CID 51125054) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide
PubChem CID51125054
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)CN1CCCC(C)C1
InChIInChI=1S/C20H30N4O2/c1-13-6-5-9-24(11-13)12-14(2)22-19(25)8-7-17-15(3)18(10-21)20(26)23-16(17)4/h13-14H,5-9,11-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyCFCUVQQJLWWLBR-UHFFFAOYSA-N
XLogP2.03
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide (CID 51125054) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC(C)CN1CCCC(C)C1.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide?
The InChIKey is CFCUVQQJLWWLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-13-6-5-9-24(11-13)12-14(2)22-19(25)8-7-17-15(3)18(10-21)20(26)23-16(17)4/h13-14H,5-9,11-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide has a molecular weight of 358.49 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 51125054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).