5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide

C25H27ClN8O2 — CID 90659741

IUPAC5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCNC(C)C(=O)Nc1cc(-c2nc(C)nc3c(C)c(C)n(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1
InChIInChI=1S/C25H27ClN8O2/c1-12-14(3)34(6)23-21(12)29-15(4)30-22(23)16-9-19(32-24(35)13(2)27-5)31-20(10-16)33-25(36)18-8-7-17(26)11-28-18/h7-11,13,27H,1-6H3,(H2,31,32,33,35,36)
InChIKeyFCWUYYPTTRQZJI-UHFFFAOYSA-N
MW507.00 g/mol
LogP3.80
Rot. Bonds6

About 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide

5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 90659741) has the molecular formula C25H27ClN8O2 and a molecular weight of 507.00 g/mol. Its IUPAC name is 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID90659741
Molecular FormulaC25H27ClN8O2
Molecular Weight507.00 g/mol
Exact Mass506.19
IUPAC Name5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCNC(C)C(=O)Nc1cc(-c2nc(C)nc3c(C)c(C)n(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1
InChIInChI=1S/C25H27ClN8O2/c1-12-14(3)34(6)23-21(12)29-15(4)30-22(23)16-9-19(32-24(35)13(2)27-5)31-20(10-16)33-25(36)18-8-7-17(26)11-28-18/h7-11,13,27H,1-6H3,(H2,31,32,33,35,36)
InChIKeyFCWUYYPTTRQZJI-UHFFFAOYSA-N
XLogP3.80
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.00
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide (CID 90659741) is 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide is CNC(C)C(=O)Nc1cc(-c2nc(C)nc3c(C)c(C)n(C)c23)cc(NC(=O)c2ccc(Cl)cn2)n1.
What is the InChIKey of 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is FCWUYYPTTRQZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN8O2/c1-12-14(3)34(6)23-21(12)29-15(4)30-22(23)16-9-19(32-24(35)13(2)27-5)31-20(10-16)33-25(36)18-8-7-17(26)11-28-18/h7-11,13,27H,1-6H3,(H2,31,32,33,35,36).
What are the key properties of 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide?
5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 507.00 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[6-[2-(methylamino)propanoylamino]-4-(2,5,6,7-tetramethylpyrrolo[3,2-d]pyrimidin-4-yl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 90659741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).