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

C19H30N4O2 — CID 18160799

IUPAC3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C19H30N4O2/c1-12(2)23(13(3)4)10-9-21-18(24)8-7-16-14(5)17(11-20)19(25)22-15(16)6/h12-13H,7-10H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyFLZDQZYYNUVFGQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.03
Rot. Bonds8

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

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide (PubChem CID 18160799) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
PubChem CID18160799
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C19H30N4O2/c1-12(2)23(13(3)4)10-9-21-18(24)8-7-16-14(5)17(11-20)19(25)22-15(16)6/h12-13H,7-10H2,1-6H3,(H,21,24)(H,22,25)
InChIKeyFLZDQZYYNUVFGQ-UHFFFAOYSA-N
XLogP2.03
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
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-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The IUPAC name of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide (CID 18160799) is 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
The InChIKey is FLZDQZYYNUVFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-12(2)23(13(3)4)10-9-21-18(24)8-7-16-14(5)17(11-20)19(25)22-15(16)6/h12-13H,7-10H2,1-6H3,(H,21,24)(H,22,25).
What are the key properties of 3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide?
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide has a molecular weight of 346.48 g/mol, XLogP of 2.03, 8 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-[2-[di(propan-2-yl)amino]ethyl]propanamide is sourced from PubChem (CID 18160799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).