N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide

C22H29N3O2S — CID 97311490

IUPACN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)N[C@@H](c3cccs3)C3CCCC3)cn2)C[C@@H](C)O1
InChIInChI=1S/C22H29N3O2S/c1-15-13-25(14-16(2)27-15)20-10-9-18(12-23-20)22(26)24-21(17-6-3-4-7-17)19-8-5-11-28-19/h5,8-12,15-17,21H,3-4,6-7,13-14H2,1-2H3,(H,24,26)/t15-,16-,21-/m1/s1
InChIKeyXCVNQERCENQSOQ-WHSLLNHNSA-N
MW399.56 g/mol
LogP4.42
Rot. Bonds5

About N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide (PubChem CID 97311490) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide
PubChem CID97311490
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2ccc(C(=O)N[C@@H](c3cccs3)C3CCCC3)cn2)C[C@@H](C)O1
InChIInChI=1S/C22H29N3O2S/c1-15-13-25(14-16(2)27-15)20-10-9-18(12-23-20)22(26)24-21(17-6-3-4-7-17)19-8-5-11-28-19/h5,8-12,15-17,21H,3-4,6-7,13-14H2,1-2H3,(H,24,26)/t15-,16-,21-/m1/s1
InChIKeyXCVNQERCENQSOQ-WHSLLNHNSA-N
XLogP4.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 37319485
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 39613359
N-benzhydryl-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43071668
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 37319565
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700403
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 36700400
N'-(cyclopropanecarbonyl)-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carbohydrazide
CID 37319900
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N'-(4-methylbenzoyl)pyridine-3-carbohydrazide
CID 37319446
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2R)-1-(furan-2-yl)propan-2-yl]pyridine-3-carboxamide
CID 98718477
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide (CID 97311490) is N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2ccc(C(=O)N[C@@H](c3cccs3)C3CCCC3)cn2)C[C@@H](C)O1.
What is the InChIKey of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide?
The InChIKey is XCVNQERCENQSOQ-WHSLLNHNSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-15-13-25(14-16(2)27-15)20-10-9-18(12-23-20)22(26)24-21(17-6-3-4-7-17)19-8-5-11-28-19/h5,8-12,15-17,21H,3-4,6-7,13-14H2,1-2H3,(H,24,26)/t15-,16-,21-/m1/s1.
What are the key properties of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide?
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 97311490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).