N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide

C14H15N3O — CID 136661005

IUPACN-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide
SMILESCC(NC=O)C1=NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H15N3O/c1-9(16-8-18)13-14-11(6-7-15-13)10-4-2-3-5-12(10)17-14/h2-5,8-9,17H,6-7H2,1H3,(H,16,18)
InChIKeyRNWRAYQECRPCQG-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.65
Rot. Bonds3

About N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide

N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide (PubChem CID 136661005) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide
PubChem CID136661005
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide
SMILESCC(NC=O)C1=NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H15N3O/c1-9(16-8-18)13-14-11(6-7-15-13)10-4-2-3-5-12(10)17-14/h2-5,8-9,17H,6-7H2,1H3,(H,16,18)
InChIKeyRNWRAYQECRPCQG-UHFFFAOYSA-N
XLogP1.65
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 132837986
1-octyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
CID 135755225
1-(4-chlorophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11242982
1-(4-nitrophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 11426319
1-(naphthalen-1-ylsulfinylmethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 136811326
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
4-methylbenzene-1,3-dicarboxylic acid;1-(trifluoromethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 174857403
(3-bromophenyl)-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanone
CID 71423282
1-(5-methyl-2-nitrophenyl)-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 86241033
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
CID 84581981

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide?
The IUPAC name of N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide (CID 136661005) is N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide.
What is the SMILES notation for N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide?
The canonical SMILES for N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide is CC(NC=O)C1=NCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide?
The InChIKey is RNWRAYQECRPCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9(16-8-18)13-14-11(6-7-15-13)10-4-2-3-5-12(10)17-14/h2-5,8-9,17H,6-7H2,1H3,(H,16,18).
What are the key properties of N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide?
N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide has a molecular weight of 241.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)ethyl]formamide is sourced from PubChem (CID 136661005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).