N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide

C13H13N5O2 — CID 24778425

IUPACN-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C13H13N5O2/c1-7(19)16-13-15-5-3-10(18-13)11-6-8-9(17-11)2-4-14-12(8)20/h3,5-6,17H,2,4H2,1H3,(H,14,20)(H,15,16,18,19)
InChIKeyIYIBUTZZEKKWBT-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.72
Rot. Bonds2

About N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide

N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide (PubChem CID 24778425) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide
PubChem CID24778425
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C13H13N5O2/c1-7(19)16-13-15-5-3-10(18-13)11-6-8-9(17-11)2-4-14-12(8)20/h3,5-6,17H,2,4H2,1H3,(H,14,20)(H,15,16,18,19)
InChIKeyIYIBUTZZEKKWBT-UHFFFAOYSA-N
XLogP0.72
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide (CID 24778425) is N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide is CC(=O)Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1.
What is the InChIKey of N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide?
The InChIKey is IYIBUTZZEKKWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-7(19)16-13-15-5-3-10(18-13)11-6-8-9(17-11)2-4-14-12(8)20/h3,5-6,17H,2,4H2,1H3,(H,14,20)(H,15,16,18,19).
What are the key properties of N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide?
N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide has a molecular weight of 271.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 24778425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).