N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide

C20H24N4O2 — CID 71064987

IUPACN-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide
SMILESC[C@H]1C[C@](C)(C(=O)c2cccc(NC(=O)c3ccncc3)n2)CCN1C
InChIInChI=1S/C20H24N4O2/c1-14-13-20(2,9-12-24(14)3)18(25)16-5-4-6-17(22-16)23-19(26)15-7-10-21-11-8-15/h4-8,10-11,14H,9,12-13H2,1-3H3,(H,22,23,26)/t14-,20+/m0/s1
InChIKeySUZCGCATHWRKPF-VBKZILBWSA-N
MW352.44 g/mol
LogP3.03
Rot. Bonds4

About N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide

N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 71064987) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID71064987
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide
SMILESC[C@H]1C[C@](C)(C(=O)c2cccc(NC(=O)c3ccncc3)n2)CCN1C
InChIInChI=1S/C20H24N4O2/c1-14-13-20(2,9-12-24(14)3)18(25)16-5-4-6-17(22-16)23-19(26)15-7-10-21-11-8-15/h4-8,10-11,14H,9,12-13H2,1-3H3,(H,22,23,26)/t14-,20+/m0/s1
InChIKeySUZCGCATHWRKPF-VBKZILBWSA-N
XLogP3.03
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide (CID 71064987) is N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide is C[C@H]1C[C@](C)(C(=O)c2cccc(NC(=O)c3ccncc3)n2)CCN1C.
What is the InChIKey of N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is SUZCGCATHWRKPF-VBKZILBWSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-13-20(2,9-12-24(14)3)18(25)16-5-4-6-17(22-16)23-19(26)15-7-10-21-11-8-15/h4-8,10-11,14H,9,12-13H2,1-3H3,(H,22,23,26)/t14-,20+/m0/s1.
What are the key properties of N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide?
N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S,4R)-1,2,4-trimethylpiperidine-4-carbonyl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 71064987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).