N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C19H25N5O3S — CID 55700964

IUPACN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccc(N3CCCC(C(N)=O)C3)nc1)CS2
InChIInChI=1S/C19H25N5O3S/c1-19-7-6-16(25)24(19)14(11-28-19)18(27)22-13-4-5-15(21-9-13)23-8-2-3-12(10-23)17(20)26/h4-5,9,12,14H,2-3,6-8,10-11H2,1H3,(H2,20,26)(H,22,27)
InChIKeyGEYJNXBMBCLFOT-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.18
Rot. Bonds4

About N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 55700964) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID55700964
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccc(N3CCCC(C(N)=O)C3)nc1)CS2
InChIInChI=1S/C19H25N5O3S/c1-19-7-6-16(25)24(19)14(11-28-19)18(27)22-13-4-5-15(21-9-13)23-8-2-3-12(10-23)17(20)26/h4-5,9,12,14H,2-3,6-8,10-11H2,1H3,(H2,20,26)(H,22,27)
InChIKeyGEYJNXBMBCLFOT-UHFFFAOYSA-N
XLogP1.18
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,7aS)-N-(4-carbamoylphenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 8884778
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971103
N-(3,4-dimethoxyphenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42998603
7a-methyl-5-oxo-N-(4-phenylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51155666
1-[5-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970205
1-[5-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55968667
1-[5-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701006
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
2-[4-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 119253803

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 55700964) is N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1ccc(N3CCCC(C(N)=O)C3)nc1)CS2.
What is the InChIKey of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is GEYJNXBMBCLFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-19-7-6-16(25)24(19)14(11-28-19)18(27)22-13-4-5-15(21-9-13)23-8-2-3-12(10-23)17(20)26/h4-5,9,12,14H,2-3,6-8,10-11H2,1H3,(H2,20,26)(H,22,27).
What are the key properties of N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 55700964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).