2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide

C22H26N6O2 — CID 164620279

IUPAC2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCC[C@H]3CNCCO3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C22H26N6O2/c1-28-15-21(26-27-28)20-13-17(12-18(25-20)11-16-5-3-2-4-6-16)22(29)24-8-7-19-14-23-9-10-30-19/h2-6,12-13,15,19,23H,7-11,14H2,1H3,(H,24,29)/t19-/m0/s1
InChIKeyTVDVZLKVJBJRCT-IBGZPJMESA-N
MW406.49 g/mol
LogP1.58
Rot. Bonds7

About 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide

2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 164620279) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID164620279
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NCC[C@H]3CNCCO3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C22H26N6O2/c1-28-15-21(26-27-28)20-13-17(12-18(25-20)11-16-5-3-2-4-6-16)22(29)24-8-7-19-14-23-9-10-30-19/h2-6,12-13,15,19,23H,7-11,14H2,1H3,(H,24,29)/t19-/m0/s1
InChIKeyTVDVZLKVJBJRCT-IBGZPJMESA-N
XLogP1.58
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide (CID 164620279) is 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)NCC[C@H]3CNCCO3)cc(Cc3ccccc3)n2)nn1.
What is the InChIKey of 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is TVDVZLKVJBJRCT-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N6O2/c1-28-15-21(26-27-28)20-13-17(12-18(25-20)11-16-5-3-2-4-6-16)22(29)24-8-7-19-14-23-9-10-30-19/h2-6,12-13,15,19,23H,7-11,14H2,1H3,(H,24,29)/t19-/m0/s1.
What are the key properties of 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide?
2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(1-methyltriazol-4-yl)-N-[2-[(2S)-morpholin-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 164620279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).