6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide

C23H23N7O2 — CID 146621558

IUPAC6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
SMILESCn1ccc2nc(-c3cccc(NC(=O)c4ccc(N)nc4)c3)nc(N3CCOCC3)c21
InChIInChI=1S/C23H23N7O2/c1-29-8-7-18-20(29)22(30-9-11-32-12-10-30)28-21(27-18)15-3-2-4-17(13-15)26-23(31)16-5-6-19(24)25-14-16/h2-8,13-14H,9-12H2,1H3,(H2,24,25)(H,26,31)
InChIKeyYTJJCPQEJJTGCM-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.70
Rot. Bonds4

About 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide

6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 146621558) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID146621558
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
SMILESCn1ccc2nc(-c3cccc(NC(=O)c4ccc(N)nc4)c3)nc(N3CCOCC3)c21
InChIInChI=1S/C23H23N7O2/c1-29-8-7-18-20(29)22(30-9-11-32-12-10-30)28-21(27-18)15-3-2-4-17(13-15)26-23(31)16-5-6-19(24)25-14-16/h2-8,13-14H,9-12H2,1H3,(H2,24,25)(H,26,31)
InChIKeyYTJJCPQEJJTGCM-UHFFFAOYSA-N
XLogP2.70
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 66988127
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N-[3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-7-yl]phenyl]-2-fluoropropanamide
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N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
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CID 20959447
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6-amino-N-quinolin-6-ylpyridine-3-carboxamide
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3-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide (CID 146621558) is 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide is Cn1ccc2nc(-c3cccc(NC(=O)c4ccc(N)nc4)c3)nc(N3CCOCC3)c21.
What is the InChIKey of 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is YTJJCPQEJJTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-29-8-7-18-20(29)22(30-9-11-32-12-10-30)28-21(27-18)15-3-2-4-17(13-15)26-23(31)16-5-6-19(24)25-14-16/h2-8,13-14H,9-12H2,1H3,(H2,24,25)(H,26,31).
What are the key properties of 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide?
6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-(5-methyl-4-morpholin-4-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 146621558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).