N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

C21H18N6O2 — CID 90683887

IUPACN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccccn3)c2)c2cncnc21
InChIInChI=1S/C21H18N6O2/c1-13(2)27-11-17(16-10-23-12-25-20(16)27)19(28)14-7-15(9-22-8-14)26-21(29)18-5-3-4-6-24-18/h3-13H,1-2H3,(H,26,29)
InChIKeyROQIQCYIOCNQAV-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.29
Rot. Bonds5

About N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 90683887) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID90683887
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC NameN-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccccn3)c2)c2cncnc21
InChIInChI=1S/C21H18N6O2/c1-13(2)27-11-17(16-10-23-12-25-20(16)27)19(28)14-7-15(9-22-8-14)26-21(29)18-5-3-4-6-24-18/h3-13H,1-2H3,(H,26,29)
InChIKeyROQIQCYIOCNQAV-UHFFFAOYSA-N
XLogP3.29
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 90683868
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 90683906
1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]imidazole-2-carboxamide
CID 90683926
5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 90683872
1-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrrolo[2,3-c]pyridine-3-carboxamide
CID 90683915
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
CID 70817901
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90683861
2-(5-propan-2-ylpyrazol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683826
2-(2-cyclopropyloxyphenyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683597
(7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)-pyridin-3-ylmethanone
CID 141348770
1-(4-chlorophenyl)-3-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]urea
CID 70817714
2-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683822

Frequently Asked Questions

What is the IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (CID 90683887) is N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccccn3)c2)c2cncnc21.
What is the InChIKey of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ROQIQCYIOCNQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13(2)27-11-17(16-10-23-12-25-20(16)27)19(28)14-7-15(9-22-8-14)26-21(29)18-5-3-4-6-24-18/h3-13H,1-2H3,(H,26,29).
What are the key properties of N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 90683887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).