7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

C19H22N6O — CID 162675497

IUPAC7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3cccnc3)nc2n1C1CCCC1
InChIInChI=1S/C19H22N6O/c1-24(2)18(26)16-10-13-11-21-19(22-14-6-5-9-20-12-14)23-17(13)25(16)15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyZAKJTLHOYSCJGB-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.39
Rot. Bonds4

About 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 162675497) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
PubChem CID162675497
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
SMILESCN(C)C(=O)c1cc2cnc(Nc3cccnc3)nc2n1C1CCCC1
InChIInChI=1S/C19H22N6O/c1-24(2)18(26)16-10-13-11-21-19(22-14-6-5-9-20-12-14)23-17(13)25(16)15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,22,23)
InChIKeyZAKJTLHOYSCJGB-UHFFFAOYSA-N
XLogP3.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 162675497) is 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Nc3cccnc3)nc2n1C1CCCC1.
What is the InChIKey of 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZAKJTLHOYSCJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-24(2)18(26)16-10-13-11-21-19(22-14-6-5-9-20-12-14)23-17(13)25(16)15-7-3-4-8-15/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,21,22,23).
What are the key properties of 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide?
7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N,N-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 162675497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).