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

C19H27N3O2 — CID 142429259

IUPACN-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide
SMILESCc1cccc(C2=CCN(CCNC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C19H27N3O2/c1-15-3-2-4-18(21-15)16-5-10-22(11-6-16)12-9-20-19(23)17-7-13-24-14-8-17/h2-5,17H,6-14H2,1H3,(H,20,23)
InChIKeyLWUCNZZPRVNCLB-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.02
Rot. Bonds5

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

N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 142429259) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID142429259
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide
SMILESCc1cccc(C2=CCN(CCNC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C19H27N3O2/c1-15-3-2-4-18(21-15)16-5-10-22(11-6-16)12-9-20-19(23)17-7-13-24-14-8-17/h2-5,17H,6-14H2,1H3,(H,20,23)
InChIKeyLWUCNZZPRVNCLB-UHFFFAOYSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide (CID 142429259) is N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide is Cc1cccc(C2=CCN(CCNC(=O)C3CCOCC3)CC2)n1.
What is the InChIKey of N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is LWUCNZZPRVNCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-3-2-4-18(21-15)16-5-10-22(11-6-16)12-9-20-19(23)17-7-13-24-14-8-17/h2-5,17H,6-14H2,1H3,(H,20,23).
What are the key properties of N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide?
N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 142429259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).