1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide

C26H36N6O2S — CID 89135741

IUPAC1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESC=C1CC(Nc2nccc(-c3ccc(C(=O)N4CCC(C(=O)NC(C)C)CC4)s3)n2)CC(C)(C)N1
InChIInChI=1S/C26H36N6O2S/c1-16(2)28-23(33)18-9-12-32(13-10-18)24(34)22-7-6-21(35-22)20-8-11-27-25(30-20)29-19-14-17(3)31-26(4,5)15-19/h6-8,11,16,18-19,31H,3,9-10,12-15H2,1-2,4-5H3,(H,28,33)(H,27,29,30)
InChIKeyRBZPRBIMNYCEQU-UHFFFAOYSA-N
MW496.68 g/mol
LogP4.04
Rot. Bonds6

About 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide

1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 89135741) has the molecular formula C26H36N6O2S and a molecular weight of 496.68 g/mol. Its IUPAC name is 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID89135741
Molecular FormulaC26H36N6O2S
Molecular Weight496.68 g/mol
Exact Mass496.26
IUPAC Name1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESC=C1CC(Nc2nccc(-c3ccc(C(=O)N4CCC(C(=O)NC(C)C)CC4)s3)n2)CC(C)(C)N1
InChIInChI=1S/C26H36N6O2S/c1-16(2)28-23(33)18-9-12-32(13-10-18)24(34)22-7-6-21(35-22)20-8-11-27-25(30-20)29-19-14-17(3)31-26(4,5)15-19/h6-8,11,16,18-19,31H,3,9-10,12-15H2,1-2,4-5H3,(H,28,33)(H,27,29,30)
InChIKeyRBZPRBIMNYCEQU-UHFFFAOYSA-N
XLogP4.04
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.68
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 89135780
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(5-piperazin-1-ylthiophen-2-yl)pyrimidin-2-amine
CID 89135674
[4-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanol
CID 89135742
5-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]thiophene-2-sulfonamide
CID 89135743
4-[5-(2-amino-2-methylpropyl)thiophen-2-yl]-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135670
4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135755
ethyl 4-[5-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrimidin-4-yl]thiophen-2-yl]piperazine-1-carboxylate
CID 11374869
N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)-4-(7-methoxy-1H-indol-3-yl)pyrimidin-2-amine
CID 89135693
4-[5-(1-methylpiperidin-4-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 141103158
2,6-dichlorobenzoyl chloride;(2,6-dichlorophenyl)-[4-[[4-(5-methylthiophen-2-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;methane;4-(5-methylthiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine;hydrochloride;hydroiodide
CID 160514651
3-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]-1H-indole-6-carbonitrile
CID 89135798
4-[5-(3-methylpiperazin-1-yl)thiophen-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 11486814

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 89135741) is 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide is C=C1CC(Nc2nccc(-c3ccc(C(=O)N4CCC(C(=O)NC(C)C)CC4)s3)n2)CC(C)(C)N1.
What is the InChIKey of 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is RBZPRBIMNYCEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O2S/c1-16(2)28-23(33)18-9-12-32(13-10-18)24(34)22-7-6-21(35-22)20-8-11-27-25(30-20)29-19-14-17(3)31-26(4,5)15-19/h6-8,11,16,18-19,31H,3,9-10,12-15H2,1-2,4-5H3,(H,28,33)(H,27,29,30).
What are the key properties of 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 496.68 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[(2,2-dimethyl-6-methylidenepiperidin-4-yl)amino]pyrimidin-4-yl]thiophene-2-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 89135741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).