1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide

C14H25N3O2 — CID 53015779

IUPAC1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1=CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O2/c1-10(2)15-12(18)11-6-8-17(9-7-11)13(19)16-14(3,4)5/h6,10H,7-9H2,1-5H3,(H,15,18)(H,16,19)
InChIKeyJNWNEMDVLSFQBS-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.65
Rot. Bonds2

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

1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (PubChem CID 53015779) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
PubChem CID53015779
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide
SMILESCC(C)NC(=O)C1=CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O2/c1-10(2)15-12(18)11-6-8-17(9-7-11)13(19)16-14(3,4)5/h6,10H,7-9H2,1-5H3,(H,15,18)(H,16,19)
InChIKeyJNWNEMDVLSFQBS-UHFFFAOYSA-N
XLogP1.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The IUPAC name of 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide (CID 53015779) is 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The canonical SMILES for 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is CC(C)NC(=O)C1=CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
The InChIKey is JNWNEMDVLSFQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)15-12(18)11-6-8-17(9-7-11)13(19)16-14(3,4)5/h6,10H,7-9H2,1-5H3,(H,15,18)(H,16,19).
What are the key properties of 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide?
1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-propan-2-yl-3,6-dihydro-2H-pyridine-1,4-dicarboxamide is sourced from PubChem (CID 53015779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).