2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide

C18H27N3O — CID 142429266

IUPAC2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide
SMILESCc1cccc(C2=CCN(CCNC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C18H27N3O/c1-14-6-5-7-16(20-14)15-8-11-21(12-9-15)13-10-19-17(22)18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,22)
InChIKeyNSRFWSBDKAVEHH-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.64
Rot. Bonds4

About 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide

2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide (PubChem CID 142429266) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide
PubChem CID142429266
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide
SMILESCc1cccc(C2=CCN(CCNC(=O)C(C)(C)C)CC2)n1
InChIInChI=1S/C18H27N3O/c1-14-6-5-7-16(20-14)15-8-11-21(12-9-15)13-10-19-17(22)18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,22)
InChIKeyNSRFWSBDKAVEHH-UHFFFAOYSA-N
XLogP2.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide (CID 142429266) is 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide is Cc1cccc(C2=CCN(CCNC(=O)C(C)(C)C)CC2)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide?
The InChIKey is NSRFWSBDKAVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-6-5-7-16(20-14)15-8-11-21(12-9-15)13-10-19-17(22)18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,22).
What are the key properties of 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide?
2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide has a molecular weight of 301.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]propanamide is sourced from PubChem (CID 142429266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).