N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

C25H23FN4O — CID 154688196

IUPACN-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCc2c(c3ccccc3n2Cc2ccncc2)C1
InChIInChI=1S/C25H23FN4O/c26-20-5-3-4-19(14-20)15-28-25(31)29-13-10-24-22(17-29)21-6-1-2-7-23(21)30(24)16-18-8-11-27-12-9-18/h1-9,11-12,14H,10,13,15-17H2,(H,28,31)
InChIKeyGDKRCTQGNPJZMD-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.49
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide

N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (PubChem CID 154688196) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
PubChem CID154688196
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC NameN-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)N1CCc2c(c3ccccc3n2Cc2ccncc2)C1
InChIInChI=1S/C25H23FN4O/c26-20-5-3-4-19(14-20)15-28-25(31)29-13-10-24-22(17-29)21-6-1-2-7-23(21)30(24)16-18-8-11-27-12-9-18/h1-9,11-12,14H,10,13,15-17H2,(H,28,31)
InChIKeyGDKRCTQGNPJZMD-UHFFFAOYSA-N
XLogP4.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

5-[(3-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688256
N-[(4-methoxyphenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 154688280
ethyl 5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 25019455
1-(5-benzyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2,2-dimethylpropan-1-one
CID 42883294
N-hydroxy-4-[(2-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
CID 163280305
9-benzyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
CID 18788163
5-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 58146998
3-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxamide
CID 134071733
9-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylic acid
CID 90878202
5-(cyclopropylmethyl)-N-(3-ethylphenyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide
CID 42695129
4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide (CID 154688196) is N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is O=C(NCc1cccc(F)c1)N1CCc2c(c3ccccc3n2Cc2ccncc2)C1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
The InChIKey is GDKRCTQGNPJZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-20-5-3-4-19(14-20)15-28-25(31)29-13-10-24-22(17-29)21-6-1-2-7-23(21)30(24)16-18-8-11-27-12-9-18/h1-9,11-12,14H,10,13,15-17H2,(H,28,31).
What are the key properties of N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide?
N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-5-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxamide is sourced from PubChem (CID 154688196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).