2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide

C19H22N6O — CID 51000688

IUPAC2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
SMILESO=C(CNc1ccccc1)NC1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C19H22N6O/c26-17(11-21-14-5-2-1-3-6-14)24-15-7-4-10-25(12-15)19-16-8-9-20-18(16)22-13-23-19/h1-3,5-6,8-9,13,15,21H,4,7,10-12H2,(H,24,26)(H,20,22,23)
InChIKeyINJVALJRNIUGCB-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.15
Rot. Bonds5

About 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide

2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide (PubChem CID 51000688) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
PubChem CID51000688
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
SMILESO=C(CNc1ccccc1)NC1CCCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C19H22N6O/c26-17(11-21-14-5-2-1-3-6-14)24-15-7-4-10-25(12-15)19-16-8-9-20-18(16)22-13-23-19/h1-3,5-6,8-9,13,15,21H,4,7,10-12H2,(H,24,26)(H,20,22,23)
InChIKeyINJVALJRNIUGCB-UHFFFAOYSA-N
XLogP2.15
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide (CID 51000688) is 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide is O=C(CNc1ccccc1)NC1CCCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is INJVALJRNIUGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-17(11-21-14-5-2-1-3-6-14)24-15-7-4-10-25(12-15)19-16-8-9-20-18(16)22-13-23-19/h1-3,5-6,8-9,13,15,21H,4,7,10-12H2,(H,24,26)(H,20,22,23).
What are the key properties of 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide?
2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 51000688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).