4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide

C17H24N4O2 — CID 166389608

IUPAC4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide
SMILESO=C(CCCN1CCOCC1)NCCc1c[nH]c2ncccc12
InChIInChI=1S/C17H24N4O2/c22-16(4-2-8-21-9-11-23-12-10-21)18-7-5-14-13-20-17-15(14)3-1-6-19-17/h1,3,6,13H,2,4-5,7-12H2,(H,18,22)(H,19,20)
InChIKeyMPANFFPFHMWRRP-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.33
Rot. Bonds7

About 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide

4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide (PubChem CID 166389608) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide
PubChem CID166389608
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide
SMILESO=C(CCCN1CCOCC1)NCCc1c[nH]c2ncccc12
InChIInChI=1S/C17H24N4O2/c22-16(4-2-8-21-9-11-23-12-10-21)18-7-5-14-13-20-17-15(14)3-1-6-19-17/h1,3,6,13H,2,4-5,7-12H2,(H,18,22)(H,19,20)
InChIKeyMPANFFPFHMWRRP-UHFFFAOYSA-N
XLogP1.33
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
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1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
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4-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]butanamide
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2-chloro-2-fluoro-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
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1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide?
The IUPAC name of 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide (CID 166389608) is 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide?
The canonical SMILES for 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide is O=C(CCCN1CCOCC1)NCCc1c[nH]c2ncccc12.
What is the InChIKey of 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide?
The InChIKey is MPANFFPFHMWRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-16(4-2-8-21-9-11-23-12-10-21)18-7-5-14-13-20-17-15(14)3-1-6-19-17/h1,3,6,13H,2,4-5,7-12H2,(H,18,22)(H,19,20).
What are the key properties of 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide?
4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide has a molecular weight of 316.40 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]butanamide is sourced from PubChem (CID 166389608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).