2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide

C18H23N5O — CID 143530183

IUPAC2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide
SMILESCCn1c2ccccc2c2cc(C(N)=O)c(NCCN(C)C)nc21
InChIInChI=1S/C18H23N5O/c1-4-23-15-8-6-5-7-12(15)13-11-14(16(19)24)17(21-18(13)23)20-9-10-22(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,19,24)(H,20,21)
InChIKeyLKTLCWOZLUATKB-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.28
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide

2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide (PubChem CID 143530183) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide
PubChem CID143530183
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide
SMILESCCn1c2ccccc2c2cc(C(N)=O)c(NCCN(C)C)nc21
InChIInChI=1S/C18H23N5O/c1-4-23-15-8-6-5-7-12(15)13-11-14(16(19)24)17(21-18(13)23)20-9-10-22(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,19,24)(H,20,21)
InChIKeyLKTLCWOZLUATKB-UHFFFAOYSA-N
XLogP2.28
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl-[2-[(3-carbamoyl-9-ethylpyrido[2,3-b]indol-2-yl)amino]ethyl]carbamic acid
CID 66676407
9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide
CID 71173807
9-(2-aminoprop-2-enyl)-2-(benzylamino)pyrido[2,3-b]indole-3-carboxamide
CID 89341066
diethyl 9-ethylpyrido[2,3-b]indole-2,3-dicarboxylate
CID 15309070
2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)ethyl-tert-butylcarbamic acid
CID 66676514
1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid
CID 66676403
1-[2-[4-[2-(dimethylamino)ethylamino]anilino]pyrimidin-4-yl]indole-3-carboxamide
CID 139408436
N-[2-(dimethylamino)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide;hydrochloride
CID 54736678
2-amino-9-(2-piperidin-1-ylethyl)pyrido[2,3-b]indole-3-carboxamide
CID 143530155
N-[2-(dimethylamino)ethyl]carbazole-9-carboxamide
CID 3027990
2-amino-9-(2-methylpropanoyl)pyrido[2,3-b]indole-3-carboxamide
CID 24900611
2-amino-9-(1,4,5,6-tetrahydropyrimidin-2-ylmethyl)pyrido[2,3-b]indole-3-carboxamide
CID 24900804

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide (CID 143530183) is 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide is CCn1c2ccccc2c2cc(C(N)=O)c(NCCN(C)C)nc21.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide?
The InChIKey is LKTLCWOZLUATKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-23-15-8-6-5-7-12(15)13-11-14(16(19)24)17(21-18(13)23)20-9-10-22(2)3/h5-8,11H,4,9-10H2,1-3H3,(H2,19,24)(H,20,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide?
2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 143530183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).