5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide

C26H31N7O2 — CID 166915002

IUPAC5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(=O)N1C[C@H](c2nc(Nc3ccnc(C)c3)cc(-c3cncc(C(=O)N(C)C)c3)n2)CC[C@@H]1C
InChIInChI=1S/C26H31N7O2/c1-16-10-22(8-9-28-16)29-24-12-23(20-11-21(14-27-13-20)26(35)32(4)5)30-25(31-24)19-7-6-17(2)33(15-19)18(3)34/h8-14,17,19H,6-7,15H2,1-5H3,(H,28,29,30,31)/t17-,19+/m0/s1
InChIKeyQCTVHDHTWIJUQO-PKOBYXMFSA-N
MW473.58 g/mol
LogP3.80
Rot. Bonds5

About 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide

5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 166915002) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
PubChem CID166915002
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
SMILESCC(=O)N1C[C@H](c2nc(Nc3ccnc(C)c3)cc(-c3cncc(C(=O)N(C)C)c3)n2)CC[C@@H]1C
InChIInChI=1S/C26H31N7O2/c1-16-10-22(8-9-28-16)29-24-12-23(20-11-21(14-27-13-20)26(35)32(4)5)30-25(31-24)19-7-6-17(2)33(15-19)18(3)34/h8-14,17,19H,6-7,15H2,1-5H3,(H,28,29,30,31)/t17-,19+/m0/s1
InChIKeyQCTVHDHTWIJUQO-PKOBYXMFSA-N
XLogP3.80
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide with MolForge

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Related Compounds

1-[3-[5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-3-pyridinyl]azetidin-1-yl]ethanone
CID 166915006
1-[(2S,5R)-2-methyl-5-[4-pyridin-3-yl-6-(pyridin-4-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 166914979
N-[5-[[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]amino]-3-pyridinyl]acetamide
CID 170049174
1-[(2S,5R)-5-[4-[[2-(1-cyclopropylpyrazol-4-yl)-4-pyridinyl]amino]-6-pyridin-3-ylpyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone
CID 164578394
1-[(2S,5R)-2-methyl-5-[4-[(2-propan-2-yl-4-pyridinyl)amino]-6-pyrazin-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 167376538
2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-(6-methylpyrazin-2-yl)-N-(2-methyl-4-pyridinyl)pyrimidin-4-amine
CID 170049224
1-[2-methyl-5-[4-[(5-methylpiperidin-3-yl)amino]-6-pyrazin-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 167528622
1-[5-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-phenylpiperidin-1-yl]ethanone
CID 167370499
1-[3-[4-[(5-methyl-3-pyridinyl)amino]-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 167370492
1-[(2S,5R)-5-[4-[3-(1-ethyltriazol-4-yl)anilino]-6-pyrazin-2-ylpyrimidin-2-yl]-2-iodopiperidin-1-yl]ethanone
CID 165401710
N-[2-[(3R,6S)-1-ethyl-6-methylpiperidin-3-yl]-6-pyridin-3-ylpyrimidin-4-yl]imidazo[1,2-a]pyridin-6-amine
CID 170048690
1-[3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]-2-methylpiperidin-1-yl]ethanone
CID 167370314

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide (CID 166915002) is 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is CC(=O)N1C[C@H](c2nc(Nc3ccnc(C)c3)cc(-c3cncc(C(=O)N(C)C)c3)n2)CC[C@@H]1C.
What is the InChIKey of 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is QCTVHDHTWIJUQO-PKOBYXMFSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-16-10-22(8-9-28-16)29-24-12-23(20-11-21(14-27-13-20)26(35)32(4)5)30-25(31-24)19-7-6-17(2)33(15-19)18(3)34/h8-14,17,19H,6-7,15H2,1-5H3,(H,28,29,30,31)/t17-,19+/m0/s1.
What are the key properties of 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide?
5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R,6S)-1-acetyl-6-methylpiperidin-3-yl]-6-[(2-methyl-4-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 166915002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).