4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide

C23H29N5O2 — CID 71721536

IUPAC4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide
SMILESCN(C)CCCC(=O)Nc1cc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)c1
InChIInChI=1S/C23H29N5O2/c1-27(2)10-4-7-23(29)25-17-15-21(18-5-3-6-20-19(18)8-9-24-20)26-22(16-17)28-11-13-30-14-12-28/h3,5-6,8-9,15-16,24H,4,7,10-14H2,1-2H3,(H,25,26,29)
InChIKeyVGLJYAJZHFYTNI-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.35
Rot. Bonds7

About 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide

4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide (PubChem CID 71721536) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide
PubChem CID71721536
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide
SMILESCN(C)CCCC(=O)Nc1cc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)c1
InChIInChI=1S/C23H29N5O2/c1-27(2)10-4-7-23(29)25-17-15-21(18-5-3-6-20-19(18)8-9-24-20)26-22(16-17)28-11-13-30-14-12-28/h3,5-6,8-9,15-16,24H,4,7,10-14H2,1-2H3,(H,25,26,29)
InChIKeyVGLJYAJZHFYTNI-UHFFFAOYSA-N
XLogP3.35
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide (CID 71721536) is 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide is CN(C)CCCC(=O)Nc1cc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)c1.
What is the InChIKey of 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide?
The InChIKey is VGLJYAJZHFYTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-27(2)10-4-7-23(29)25-17-15-21(18-5-3-6-20-19(18)8-9-24-20)26-22(16-17)28-11-13-30-14-12-28/h3,5-6,8-9,15-16,24H,4,7,10-14H2,1-2H3,(H,25,26,29).
What are the key properties of 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide?
4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide has a molecular weight of 407.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[2-(1H-indol-4-yl)-6-morpholin-4-yl-4-pyridinyl]butanamide is sourced from PubChem (CID 71721536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).