3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide

C18H21N7O2 — CID 68758179

IUPAC3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
SMILESNC(=O)CCn1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21
InChIInChI=1S/C18H21N7O2/c19-15(26)4-6-25-5-3-13-11-21-18(23-17(13)25)22-14-1-2-16(20-12-14)24-7-9-27-10-8-24/h1-3,5,11-12H,4,6-10H2,(H2,19,26)(H,21,22,23)
InChIKeyLYPUNAIYBSUCGO-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.28
Rot. Bonds6

About 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide

3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide (PubChem CID 68758179) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide.

Molecular Properties

Compound Name3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
PubChem CID68758179
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide
SMILESNC(=O)CCn1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21
InChIInChI=1S/C18H21N7O2/c19-15(26)4-6-25-5-3-13-11-21-18(23-17(13)25)22-14-1-2-16(20-12-14)24-7-9-27-10-8-24/h1-3,5,11-12H,4,6-10H2,(H2,19,26)(H,21,22,23)
InChIKeyLYPUNAIYBSUCGO-UHFFFAOYSA-N
XLogP1.28
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide with MolForge

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Related Compounds

1-[3-amino-1-[2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxopropyl]cyclobutane-1-carboxylic acid
CID 66978099
N-(aminomethyl)-4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]benzamide
CID 70864316
3-[[5-cyclopropyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68624018
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
3-[[5-cyclopropyl-2-[(6-piperidin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]propanamide
CID 68622907
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
3-indol-1-yl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 18139649
CID 163830124
CID 163830124
7-(4-amino-3,5-difluorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 89160292
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
7-amino-8-(2-aminoethyl)-2-(4-morpholin-4-ylanilino)-5-oxopyrido[2,3-d]pyrimidine-6-carboxamide
CID 67325664
1-[3-amino-1-[2-(3-morpholin-4-ylanilino)pyrrolo[2,3-d]pyrimidin-7-yl]-3-oxopropyl]cyclobutane-1-carboxylic acid
CID 66977801

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide?
The IUPAC name of 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide (CID 68758179) is 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide.
What is the SMILES notation for 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide?
The canonical SMILES for 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide is NC(=O)CCn1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21.
What is the InChIKey of 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide?
The InChIKey is LYPUNAIYBSUCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c19-15(26)4-6-25-5-3-13-11-21-18(23-17(13)25)22-14-1-2-16(20-12-14)24-7-9-27-10-8-24/h1-3,5,11-12H,4,6-10H2,(H2,19,26)(H,21,22,23).
What are the key properties of 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide?
3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide has a molecular weight of 367.41 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]propanamide is sourced from PubChem (CID 68758179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).