N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide

C18H15N7O — CID 126537534

IUPACN-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3ccccn3)nc3[nH]ccc23)ccn1
InChIInChI=1S/C18H15N7O/c1-11(26)22-15-10-12(5-8-20-15)23-17-13-6-9-21-16(13)24-18(25-17)14-4-2-3-7-19-14/h2-10H,1H3,(H3,20,21,22,23,24,25,26)
InChIKeyTXRZDWUIAYQQJI-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.12
Rot. Bonds4

About N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide

N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide (PubChem CID 126537534) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide
PubChem CID126537534
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC NameN-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2nc(-c3ccccn3)nc3[nH]ccc23)ccn1
InChIInChI=1S/C18H15N7O/c1-11(26)22-15-10-12(5-8-20-15)23-17-13-6-9-21-16(13)24-18(25-17)14-4-2-3-7-19-14/h2-10H,1H3,(H3,20,21,22,23,24,25,26)
InChIKeyTXRZDWUIAYQQJI-UHFFFAOYSA-N
XLogP3.12
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide (CID 126537534) is N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2nc(-c3ccccn3)nc3[nH]ccc23)ccn1.
What is the InChIKey of N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide?
The InChIKey is TXRZDWUIAYQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O/c1-11(26)22-15-10-12(5-8-20-15)23-17-13-6-9-21-16(13)24-18(25-17)14-4-2-3-7-19-14/h2-10H,1H3,(H3,20,21,22,23,24,25,26).
What are the key properties of N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide?
N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-pyridin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 126537534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).