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

C22H20N6O3 — CID 90683868

IUPAC4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1
InChIInChI=1S/C22H20N6O3/c1-13(2)28-11-18(17-10-24-12-26-21(17)28)20(29)14-6-15(9-23-8-14)27-22(30)19-7-16(31-3)4-5-25-19/h4-13H,1-3H3,(H,27,30)
InChIKeyFKSGHQZWCJNMAZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP3.29
Rot. Bonds6

About 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide

4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 90683868) has the molecular formula C22H20N6O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID90683868
Molecular FormulaC22H20N6O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
SMILESCOc1ccnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1
InChIInChI=1S/C22H20N6O3/c1-13(2)28-11-18(17-10-24-12-26-21(17)28)20(29)14-6-15(9-23-8-14)27-22(30)19-7-16(31-3)4-5-25-19/h4-13H,1-3H3,(H,27,30)
InChIKeyFKSGHQZWCJNMAZ-UHFFFAOYSA-N
XLogP3.29
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 90683887
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]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 90683906
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 90683861
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-[3-(trifluoromethyl)diazirin-3-yl]benzamide
CID 70817901
2-(5-fluoro-7-methoxyindol-1-yl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683670
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
2-(3-chlorophenyl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683720
N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 121331819

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide (CID 90683868) is 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is COc1ccnc(C(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)c1.
What is the InChIKey of 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is FKSGHQZWCJNMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O3/c1-13(2)28-11-18(17-10-24-12-26-21(17)28)20(29)14-6-15(9-23-8-14)27-22(30)19-7-16(31-3)4-5-25-19/h4-13H,1-3H3,(H,27,30).
What are the key properties of 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide?
4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 90683868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).