N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide

C14H26N2O — CID 10705129

IUPACN-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)NC(C)(C)C)CN(C(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-10(2)16-8-7-11(3)12(9-16)13(17)15-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyCCDULONSUNMBKW-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.33
Rot. Bonds2

About N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide

N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide (PubChem CID 10705129) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide
PubChem CID10705129
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide
SMILESCC1=C(C(=O)NC(C)(C)C)CN(C(C)C)CC1
InChIInChI=1S/C14H26N2O/c1-10(2)16-8-7-11(3)12(9-16)13(17)15-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChIKeyCCDULONSUNMBKW-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide?
The IUPAC name of N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide (CID 10705129) is N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide is CC1=C(C(=O)NC(C)(C)C)CN(C(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide?
The InChIKey is CCDULONSUNMBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-10(2)16-8-7-11(3)12(9-16)13(17)15-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17).
What are the key properties of N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide?
N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridine-5-carboxamide is sourced from PubChem (CID 10705129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).