4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide

C19H20ClN3O2 — CID 91646463

IUPAC4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCn2ccc3cc(Cl)ccc32)cn1
InChIInChI=1S/C19H20ClN3O2/c1-25-19-7-4-14(13-22-19)12-21-18(24)3-2-9-23-10-8-15-11-16(20)5-6-17(15)23/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,24)
InChIKeyIPDVLRZZFLBGLW-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.79
Rot. Bonds7

About 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide

4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide (PubChem CID 91646463) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide.

Molecular Properties

Compound Name4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
PubChem CID91646463
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CCCn2ccc3cc(Cl)ccc32)cn1
InChIInChI=1S/C19H20ClN3O2/c1-25-19-7-4-14(13-22-19)12-21-18(24)3-2-9-23-10-8-15-11-16(20)5-6-17(15)23/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,24)
InChIKeyIPDVLRZZFLBGLW-UHFFFAOYSA-N
XLogP3.79
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
CID 61275158
N-[(6-methoxy-3-pyridinyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979608
5-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 51303988
1-(3-indol-1-ylpropyl)-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine
CID 111341331
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172882152
2-(6-chloro-4-oxoquinolin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 100734852
3-(5-chloroindol-1-yl)propanehydrazide
CID 63878514
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide?
The IUPAC name of 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide (CID 91646463) is 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide.
What is the SMILES notation for 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide?
The canonical SMILES for 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide is COc1ccc(CNC(=O)CCCn2ccc3cc(Cl)ccc32)cn1.
What is the InChIKey of 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide?
The InChIKey is IPDVLRZZFLBGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-25-19-7-4-14(13-22-19)12-21-18(24)3-2-9-23-10-8-15-11-16(20)5-6-17(15)23/h4-8,10-11,13H,2-3,9,12H2,1H3,(H,21,24).
What are the key properties of 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide?
4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide has a molecular weight of 357.84 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide is sourced from PubChem (CID 91646463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).