N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide

C16H24N2O2 — CID 129001486

IUPACN-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide
SMILESCCc1cnccc1NC(=O)C1CCCOC1C(C)C
InChIInChI=1S/C16H24N2O2/c1-4-12-10-17-8-7-14(12)18-16(19)13-6-5-9-20-15(13)11(2)3/h7-8,10-11,13,15H,4-6,9H2,1-3H3,(H,17,18,19)
InChIKeyMBSSUNSJPVMTPW-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.03
Rot. Bonds4

About N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide

N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide (PubChem CID 129001486) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide
PubChem CID129001486
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide
SMILESCCc1cnccc1NC(=O)C1CCCOC1C(C)C
InChIInChI=1S/C16H24N2O2/c1-4-12-10-17-8-7-14(12)18-16(19)13-6-5-9-20-15(13)11(2)3/h7-8,10-11,13,15H,4-6,9H2,1-3H3,(H,17,18,19)
InChIKeyMBSSUNSJPVMTPW-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-ethyl-N-(4-methoxy-3-pyridinyl)oxane-3-carboxamide
CID 129479124
(2R,3S)-2-ethyl-N-(3-fluoro-4-pyridinyl)oxane-3-carboxamide
CID 129479503
N-(1,3-dimethylpyrazol-4-yl)-2-propan-2-yloxane-3-carboxamide
CID 128995890
(2R,3R)-N-(3-hydroxy-2-pyridinyl)-2-propan-2-yloxane-3-carboxamide
CID 129492775
(2R,3R)-2-(1-ethylimidazol-2-yl)-N-(3-ethyl-4-pyridinyl)oxolane-3-carboxamide
CID 128987407
(2R,3R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492505
(2R,3R)-N-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-propan-2-yloxane-3-carboxamide
CID 129492789
ethyl (2R,3S)-2-propan-2-yloxane-3-carboxylate
CID 98010252
3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 119045726
(2R,3S)-3-methyl-N-[3-(2-methylpropanoyl)-4-pyridinyl]oxolane-2-carboxamide
CID 124851759
N-ethyl-4-hydrazinyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81256372
N-ethyl-4-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81243061

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide?
The IUPAC name of N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide (CID 129001486) is N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide?
The canonical SMILES for N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide is CCc1cnccc1NC(=O)C1CCCOC1C(C)C.
What is the InChIKey of N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide?
The InChIKey is MBSSUNSJPVMTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-12-10-17-8-7-14(12)18-16(19)13-6-5-9-20-15(13)11(2)3/h7-8,10-11,13,15H,4-6,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide?
N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-pyridinyl)-2-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 129001486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).