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

C15H17N5O2 — CID 24776790

IUPAC2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C15H17N5O2/c1-8(2)13(21)20-15-17-6-4-11(19-15)12-7-9-10(18-12)3-5-16-14(9)22/h4,6-8,18H,3,5H2,1-2H3,(H,16,22)(H,17,19,20,21)
InChIKeyLAFWANUVLCKSMT-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.35
Rot. Bonds3

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

2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide (PubChem CID 24776790) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide
PubChem CID24776790
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1
InChIInChI=1S/C15H17N5O2/c1-8(2)13(21)20-15-17-6-4-11(19-15)12-7-9-10(18-12)3-5-16-14(9)22/h4,6-8,18H,3,5H2,1-2H3,(H,16,22)(H,17,19,20,21)
InChIKeyLAFWANUVLCKSMT-UHFFFAOYSA-N
XLogP1.35
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide (CID 24776790) is 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide is CC(C)C(=O)Nc1nccc(-c2cc3c([nH]2)CCNC3=O)n1.
What is the InChIKey of 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide?
The InChIKey is LAFWANUVLCKSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-8(2)13(21)20-15-17-6-4-11(19-15)12-7-9-10(18-12)3-5-16-14(9)22/h4,6-8,18H,3,5H2,1-2H3,(H,16,22)(H,17,19,20,21).
What are the key properties of 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide?
2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide has a molecular weight of 299.33 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]propanamide is sourced from PubChem (CID 24776790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).