4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

C20H21N5O — CID 162362151

IUPAC4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1[nH]c2ncnc(C3=CCN(C(=O)Nc4ccccc4)CC3)c2c1C
InChIInChI=1S/C20H21N5O/c1-13-14(2)23-19-17(13)18(21-12-22-19)15-8-10-25(11-9-15)20(26)24-16-6-4-3-5-7-16/h3-8,12H,9-11H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyKNEHYTCMZPYCOP-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.90
Rot. Bonds2

About 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 162362151) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID162362151
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1[nH]c2ncnc(C3=CCN(C(=O)Nc4ccccc4)CC3)c2c1C
InChIInChI=1S/C20H21N5O/c1-13-14(2)23-19-17(13)18(21-12-22-19)15-8-10-25(11-9-15)20(26)24-16-6-4-3-5-7-16/h3-8,12H,9-11H2,1-2H3,(H,24,26)(H,21,22,23)
InChIKeyKNEHYTCMZPYCOP-UHFFFAOYSA-N
XLogP3.90
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 162362151) is 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1[nH]c2ncnc(C3=CCN(C(=O)Nc4ccccc4)CC3)c2c1C.
What is the InChIKey of 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is KNEHYTCMZPYCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-14(2)23-19-17(13)18(21-12-22-19)15-8-10-25(11-9-15)20(26)24-16-6-4-3-5-7-16/h3-8,12H,9-11H2,1-2H3,(H,24,26)(H,21,22,23).
What are the key properties of 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 162362151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).