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

C19H19F3N4O2 — CID 120604801

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c1-10-15(11(2)25-18(28)16(10)9-24)3-4-17(27)26-14-6-12(8-23)5-13(7-14)19(20,21)22/h5-7H,3-4,8,23H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyOYJBGZLBXOHMHY-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.91
Rot. Bonds5

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

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (PubChem CID 120604801) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
PubChem CID120604801
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N4O2/c1-10-15(11(2)25-18(28)16(10)9-24)3-4-17(27)26-14-6-12(8-23)5-13(7-14)19(20,21)22/h5-7H,3-4,8,23H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyOYJBGZLBXOHMHY-UHFFFAOYSA-N
XLogP2.91
TPSA111.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide (CID 120604801) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(CN)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
The InChIKey is OYJBGZLBXOHMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-10-15(11(2)25-18(28)16(10)9-24)3-4-17(27)26-14-6-12(8-23)5-13(7-14)19(20,21)22/h5-7H,3-4,8,23H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide has a molecular weight of 392.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide is sourced from PubChem (CID 120604801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).