6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile

C20H23N7 — CID 123615195

IUPAC6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile
SMILESCC1CCN(c2ncnc3[nH]ccc23)CC1(C)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C20H23N7/c1-14-7-9-27(19-16-6-8-22-18(16)24-13-25-19)12-20(14,2)26(3)17-5-4-15(10-21)11-23-17/h4-6,8,11,13-14H,7,9,12H2,1-3H3,(H,22,24,25)
InChIKeyMOJUROSSYZMGHY-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.97
Rot. Bonds3

About 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile

6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile (PubChem CID 123615195) has the molecular formula C20H23N7 and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile
PubChem CID123615195
Molecular FormulaC20H23N7
Molecular Weight361.45 g/mol
Exact Mass361.20
IUPAC Name6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile
SMILESCC1CCN(c2ncnc3[nH]ccc23)CC1(C)N(C)c1ccc(C#N)cn1
InChIInChI=1S/C20H23N7/c1-14-7-9-27(19-16-6-8-22-18(16)24-13-25-19)12-20(14,2)26(3)17-5-4-15(10-21)11-23-17/h4-6,8,11,13-14H,7,9,12H2,1-3H3,(H,22,24,25)
InChIKeyMOJUROSSYZMGHY-UHFFFAOYSA-N
XLogP2.97
TPSA84.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[(3aS)-3a-methyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]pyridine-3-carbonitrile
CID 142402868
5-[8a-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4,4a,5,6,8-hexahydro-1H-2,7-naphthyridin-2-yl]pyrazine-2-carbonitrile
CID 155323621
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
5-methyl-6-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]pyridine-3-carbonitrile
CID 135251014
(8S)-N-[1-(4-cyanophenyl)-1-hydroxypropan-2-yl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide
CID 155173207
(8S)-N-[(1R)-1-(4-cyano-2-ethylphenyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide
CID 135302919
4-(3-ethyl-3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 139004861
ethane;5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
CID 142408683
5-isocyano-N-methyl-N-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyridin-2-amine
CID 140717536
N-[(1S)-1-(4-cyano-2-fluorophenyl)ethyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide
CID 153308856
3-[(3S,4S)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile
CID 50914214
(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane
CID 129267667

Frequently Asked Questions

What is the IUPAC name of 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile (CID 123615195) is 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile is CC1CCN(c2ncnc3[nH]ccc23)CC1(C)N(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile?
The InChIKey is MOJUROSSYZMGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7/c1-14-7-9-27(19-16-6-8-22-18(16)24-13-25-19)12-20(14,2)26(3)17-5-4-15(10-21)11-23-17/h4-6,8,11,13-14H,7,9,12H2,1-3H3,(H,22,24,25).
What are the key properties of 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile?
6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile has a molecular weight of 361.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 123615195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).