N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

C16H23N7O2S — CID 55964414

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCC1CN(c2ccc(NC(=O)CCSc3nnnn3C)cn2)CC(C)O1
InChIInChI=1S/C16H23N7O2S/c1-11-9-23(10-12(2)25-11)14-5-4-13(8-17-14)18-15(24)6-7-26-16-19-20-21-22(16)3/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,18,24)
InChIKeyIUBNOGDZRXCHAR-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.34
Rot. Bonds6

About N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide

N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 55964414) has the molecular formula C16H23N7O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
PubChem CID55964414
Molecular FormulaC16H23N7O2S
Molecular Weight377.47 g/mol
Exact Mass377.16
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
SMILESCC1CN(c2ccc(NC(=O)CCSc3nnnn3C)cn2)CC(C)O1
InChIInChI=1S/C16H23N7O2S/c1-11-9-23(10-12(2)25-11)14-5-4-13(8-17-14)18-15(24)6-7-26-16-19-20-21-22(16)3/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,18,24)
InChIKeyIUBNOGDZRXCHAR-UHFFFAOYSA-N
XLogP1.34
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide (CID 55964414) is N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is CC1CN(c2ccc(NC(=O)CCSc3nnnn3C)cn2)CC(C)O1.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is IUBNOGDZRXCHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2S/c1-11-9-23(10-12(2)25-11)14-5-4-13(8-17-14)18-15(24)6-7-26-16-19-20-21-22(16)3/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,18,24).
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide?
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 377.47 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 55964414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).