2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide

C24H21ClN6O3 — CID 70817535

IUPAC2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21
InChIInChI=1S/C24H21ClN6O3/c1-30(2)22(33)13-31-12-20(19-11-27-14-28-24(19)31)23(34)16-8-18(10-26-9-16)29-21(32)7-15-3-5-17(25)6-4-15/h3-6,8-12,14H,7,13H2,1-2H3,(H,29,32)
InChIKeyPVIISPQFHOVYID-UHFFFAOYSA-N
MW476.92 g/mol
LogP2.98
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide

2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (PubChem CID 70817535) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
PubChem CID70817535
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide
SMILESCN(C)C(=O)Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21
InChIInChI=1S/C24H21ClN6O3/c1-30(2)22(33)13-31-12-20(19-11-27-14-28-24(19)31)23(34)16-8-18(10-26-9-16)29-21(32)7-15-3-5-17(25)6-4-15/h3-6,8-12,14H,7,13H2,1-2H3,(H,29,32)
InChIKeyPVIISPQFHOVYID-UHFFFAOYSA-N
XLogP2.98
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide (CID 70817535) is 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is CN(C)C(=O)Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
The InChIKey is PVIISPQFHOVYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c1-30(2)22(33)13-31-12-20(19-11-27-14-28-24(19)31)23(34)16-8-18(10-26-9-16)29-21(32)7-15-3-5-17(25)6-4-15/h3-6,8-12,14H,7,13H2,1-2H3,(H,29,32).
What are the key properties of 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide?
2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide has a molecular weight of 476.92 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-[7-[2-(dimethylamino)-2-oxoethyl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 70817535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).