2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide

C24H21ClN6O2 — CID 150105590

IUPAC2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(C(=O)c2cncc(NC=Cc3ccc(Cl)cc3)c2)c2cncnc21
InChIInChI=1S/C24H21ClN6O2/c1-30(2)22(32)14-31-13-21(20-12-27-15-29-24(20)31)23(33)17-9-19(11-26-10-17)28-8-7-16-3-5-18(25)6-4-16/h3-13,15,28H,14H2,1-2H3
InChIKeyDWEAOSYVBSZLHL-UHFFFAOYSA-N
MW460.93 g/mol
LogP3.88
Rot. Bonds7

About 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide

2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide (PubChem CID 150105590) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide
PubChem CID150105590
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(C(=O)c2cncc(NC=Cc3ccc(Cl)cc3)c2)c2cncnc21
InChIInChI=1S/C24H21ClN6O2/c1-30(2)22(32)14-31-13-21(20-12-27-15-29-24(20)31)23(33)17-9-19(11-26-10-17)28-8-7-16-3-5-18(25)6-4-16/h3-13,15,28H,14H2,1-2H3
InChIKeyDWEAOSYVBSZLHL-UHFFFAOYSA-N
XLogP3.88
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-[5-[[2-(4-chlorophenyl)acetyl]amino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]acetic acid
CID 70817541
N-[5-[7-(2-amino-2-oxoethyl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 70817658
1-(4-chlorophenyl)-3-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]urea
CID 70817714
2-(3-chlorophenyl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683720
2-(2,5-difluorophenyl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683713
2-(2,4-difluorophenyl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683714
5-methyl-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyrimidine-4-carboxamide
CID 90683872
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-(4-chlorophenyl)-N-[5-[7-[3-[2-(2,2-dimethyldodecan-3-yloxy)propan-2-yl]oxetan-3-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
CID 150292107
2-(3-chlorophenyl)-N-[5-[7-(oxetan-3-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
CID 90683738
4-methoxy-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]pyridine-2-carboxamide
CID 90683868
N-[5-[7-(1,3-dihydroxy-2-methylpropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 90683750

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide (CID 150105590) is 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(C(=O)c2cncc(NC=Cc3ccc(Cl)cc3)c2)c2cncnc21.
What is the InChIKey of 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide?
The InChIKey is DWEAOSYVBSZLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-30(2)22(32)14-31-13-21(20-12-27-15-29-24(20)31)23(33)17-9-19(11-26-10-17)28-8-7-16-3-5-18(25)6-4-16/h3-13,15,28H,14H2,1-2H3.
What are the key properties of 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide?
2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide has a molecular weight of 460.93 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[2-(4-chlorophenyl)ethenylamino]pyridine-3-carbonyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 150105590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).