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

C18H15N5O2 — CID 11404817

IUPACN-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide
SMILESO=C(Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1)c1ccccc1
InChIInChI=1S/C18H15N5O2/c24-16(11-4-2-1-3-5-11)23-18-20-9-7-14(22-18)15-10-12-13(21-15)6-8-19-17(12)25/h1-5,7,9-10,21H,6,8H2,(H,19,25)(H,20,22,23,24)
InChIKeyQHNVTSOIFWJGDP-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.01
Rot. Bonds3

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

N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide (PubChem CID 11404817) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide
PubChem CID11404817
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide
SMILESO=C(Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1)c1ccccc1
InChIInChI=1S/C18H15N5O2/c24-16(11-4-2-1-3-5-11)23-18-20-9-7-14(22-18)15-10-12-13(21-15)6-8-19-17(12)25/h1-5,7,9-10,21H,6,8H2,(H,19,25)(H,20,22,23,24)
InChIKeyQHNVTSOIFWJGDP-UHFFFAOYSA-N
XLogP2.01
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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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]benzamide?
The IUPAC name of N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide (CID 11404817) is N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide.
What is the SMILES notation for N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide?
The canonical SMILES for N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide is O=C(Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1)c1ccccc1.
What is the InChIKey of N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide?
The InChIKey is QHNVTSOIFWJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c24-16(11-4-2-1-3-5-11)23-18-20-9-7-14(22-18)15-10-12-13(21-15)6-8-19-17(12)25/h1-5,7,9-10,21H,6,8H2,(H,19,25)(H,20,22,23,24).
What are the key properties of N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide?
N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]benzamide has a molecular weight of 333.35 g/mol, XLogP of 2.01, 3 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]benzamide is sourced from PubChem (CID 11404817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).