2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide

C20H28N6O — CID 110095008

IUPAC2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC(c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1
InChIInChI=1S/C20H28N6O/c1-13-8-14(2)24-20(23-13)25-17-9-15(3)22-18(10-17)16-6-5-7-26(11-16)12-19(27)21-4/h8-10,16H,5-7,11-12H2,1-4H3,(H,21,27)(H,22,23,24,25)
InChIKeyGHPSQPHJPLOEDD-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.47
Rot. Bonds5

About 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide

2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 110095008) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
PubChem CID110095008
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC(c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1
InChIInChI=1S/C20H28N6O/c1-13-8-14(2)24-20(23-13)25-17-9-15(3)22-18(10-17)16-6-5-7-26(11-16)12-19(27)21-4/h8-10,16H,5-7,11-12H2,1-4H3,(H,21,27)(H,22,23,24,25)
InChIKeyGHPSQPHJPLOEDD-UHFFFAOYSA-N
XLogP2.47
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide with MolForge

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Related Compounds

1-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264963
3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 110264929
[(3S)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 95834881
N-cyclohexyl-N-methyl-2-[3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]acetamide
CID 110264925
1-[2-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 155983027
N-(1,5-dimethylpyrazol-4-yl)-2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetamide
CID 110088970
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
5-[(3S)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95834921
1-[2-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 110088969
2-[(3R)-3-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]piperidin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 95834814
(E)-1-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)prop-2-en-1-one
CID 132766815
1-[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 95832778

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide (CID 110095008) is 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC(c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1.
What is the InChIKey of 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is GHPSQPHJPLOEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-13-8-14(2)24-20(23-13)25-17-9-15(3)22-18(10-17)16-6-5-7-26(11-16)12-19(27)21-4/h8-10,16H,5-7,11-12H2,1-4H3,(H,21,27)(H,22,23,24,25).
What are the key properties of 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide?
2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 368.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 110095008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).