4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide

C19H22N4O — CID 91799244

IUPAC4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide
SMILESCN(C)CCCC(=O)Nc1cncc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H22N4O/c1-23(2)10-4-7-19(24)22-15-11-14(12-20-13-15)16-5-3-6-18-17(16)8-9-21-18/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3,(H,22,24)
InChIKeyQVBOWRMZONBBIK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.51
Rot. Bonds6

About 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide

4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide (PubChem CID 91799244) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide
PubChem CID91799244
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide
SMILESCN(C)CCCC(=O)Nc1cncc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C19H22N4O/c1-23(2)10-4-7-19(24)22-15-11-14(12-20-13-15)16-5-3-6-18-17(16)8-9-21-18/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3,(H,22,24)
InChIKeyQVBOWRMZONBBIK-UHFFFAOYSA-N
XLogP3.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide (CID 91799244) is 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide is CN(C)CCCC(=O)Nc1cncc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide?
The InChIKey is QVBOWRMZONBBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23(2)10-4-7-19(24)22-15-11-14(12-20-13-15)16-5-3-6-18-17(16)8-9-21-18/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3,(H,22,24).
What are the key properties of 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide?
4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide has a molecular weight of 322.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[5-(1H-indol-4-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 91799244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).