5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide

C25H33N3O2 — CID 76682548

IUPAC5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide
SMILESCCCCOc1ccc(C(=O)N(C)C2Cc3ccc(CN4CCCC4)cc3C2)nc1
InChIInChI=1S/C25H33N3O2/c1-3-4-13-30-23-9-10-24(26-17-23)25(29)27(2)22-15-20-8-7-19(14-21(20)16-22)18-28-11-5-6-12-28/h7-10,14,17,22H,3-6,11-13,15-16,18H2,1-2H3
InChIKeyHCFQNVLQUQVSFT-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.10
Rot. Bonds8

About 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide

5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide (PubChem CID 76682548) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide
PubChem CID76682548
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide
SMILESCCCCOc1ccc(C(=O)N(C)C2Cc3ccc(CN4CCCC4)cc3C2)nc1
InChIInChI=1S/C25H33N3O2/c1-3-4-13-30-23-9-10-24(26-17-23)25(29)27(2)22-15-20-8-7-19(14-21(20)16-22)18-28-11-5-6-12-28/h7-10,14,17,22H,3-6,11-13,15-16,18H2,1-2H3
InChIKeyHCFQNVLQUQVSFT-UHFFFAOYSA-N
XLogP4.10
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062389
N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 76682532
N-methyl-N-[(2S)-6-[(oxan-4-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-propoxypyridine-2-carboxamide
CID 58054852
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
N-[6-[(cyclopentylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(cyclopropylmethoxy)-N-methylpyridine-2-carboxamide
CID 76680712
4-(4-fluorophenyl)-N-methyl-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 58054855
5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 59486388
5-(2-pyrrolidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 79793888
(5-chloro-2-pyridinyl)-[1-[(4-propoxyphenyl)methyl]piperidin-4-yl]methanone
CID 134106072
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747

Frequently Asked Questions

What is the IUPAC name of 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide (CID 76682548) is 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide is CCCCOc1ccc(C(=O)N(C)C2Cc3ccc(CN4CCCC4)cc3C2)nc1.
What is the InChIKey of 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide?
The InChIKey is HCFQNVLQUQVSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-4-13-30-23-9-10-24(26-17-23)25(29)27(2)22-15-20-8-7-19(14-21(20)16-22)18-28-11-5-6-12-28/h7-10,14,17,22H,3-6,11-13,15-16,18H2,1-2H3.
What are the key properties of 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide?
5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 76682548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).