2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide

C22H23N7O3 — CID 175901236

IUPAC2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCn1c(-c2cc(NCCN3CCOCC3)c(C#N)cn2)c(C(N)=O)c2nc(C=O)ccc21
InChIInChI=1S/C22H23N7O3/c1-28-18-3-2-15(13-30)27-20(18)19(22(24)31)21(28)17-10-16(14(11-23)12-26-17)25-4-5-29-6-8-32-9-7-29/h2-3,10,12-13H,4-9H2,1H3,(H2,24,31)(H,25,26)
InChIKeyZYYYDICYJVNCNF-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.16
Rot. Bonds7

About 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide

2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 175901236) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID175901236
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCn1c(-c2cc(NCCN3CCOCC3)c(C#N)cn2)c(C(N)=O)c2nc(C=O)ccc21
InChIInChI=1S/C22H23N7O3/c1-28-18-3-2-15(13-30)27-20(18)19(22(24)31)21(28)17-10-16(14(11-23)12-26-17)25-4-5-29-6-8-32-9-7-29/h2-3,10,12-13H,4-9H2,1H3,(H2,24,31)(H,25,26)
InChIKeyZYYYDICYJVNCNF-UHFFFAOYSA-N
XLogP1.16
TPSA139.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-formyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 173164163
2-amino-3-(2-morpholin-4-ylethylamino)benzamide
CID 113332479
4-(3-bromoanilino)-8-methyl-6-(2-morpholin-4-ylethylamino)quinoline-3-carbonitrile
CID 69257421
3-methyl-2-(2-morpholin-4-ylethylamino)benzonitrile
CID 107106367
5-methyl-2-(3-morpholin-4-ylpropylamino)benzonitrile
CID 107927013
2-(2-morpholin-4-ylethylamino)quinoline-4-carbonitrile
CID 63885427
N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168139
5-chloro-6-(ethylamino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 62166235
N-(3-cyanophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960490
6-fluoro-8-methyl-4-(4-morpholin-4-ylbutylamino)quinoline-3-carbonitrile
CID 133317226
2-methyl-6-(2-morpholin-4-ylethylamino)benzonitrile
CID 114003078
4-amino-2-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 146673965

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 175901236) is 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide is Cn1c(-c2cc(NCCN3CCOCC3)c(C#N)cn2)c(C(N)=O)c2nc(C=O)ccc21.
What is the InChIKey of 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is ZYYYDICYJVNCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-28-18-3-2-15(13-30)27-20(18)19(22(24)31)21(28)17-10-16(14(11-23)12-26-17)25-4-5-29-6-8-32-9-7-29/h2-3,10,12-13H,4-9H2,1H3,(H2,24,31)(H,25,26).
What are the key properties of 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyano-4-(2-morpholin-4-ylethylamino)-2-pyridinyl]-5-formyl-1-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 175901236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).