N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide

C18H26N4O3 — CID 18118168

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H26N4O3/c1-11-13(12(2)20-17(25)14(11)9-19)7-8-16(24)22(6)10-15(23)21-18(3,4)5/h7-8,10H2,1-6H3,(H,20,25)(H,21,23)
InChIKeyNNYRJLJKSFGECI-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.17
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide (PubChem CID 18118168) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
PubChem CID18118168
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H26N4O3/c1-11-13(12(2)20-17(25)14(11)9-19)7-8-16(24)22(6)10-15(23)21-18(3,4)5/h7-8,10H2,1-6H3,(H,20,25)(H,21,23)
InChIKeyNNYRJLJKSFGECI-UHFFFAOYSA-N
XLogP1.17
TPSA106.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide (CID 18118168) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide?
The InChIKey is NNYRJLJKSFGECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-11-13(12(2)20-17(25)14(11)9-19)7-8-16(24)22(6)10-15(23)21-18(3,4)5/h7-8,10H2,1-6H3,(H,20,25)(H,21,23).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide has a molecular weight of 346.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-methylpropanamide is sourced from PubChem (CID 18118168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).