2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide

C17H25N5O2 — CID 59189868

IUPAC2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
SMILESCCN(CC)CCCc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C17H25N5O2/c1-3-22(4-2)9-5-6-11-7-8-12-13(10-11)20-16(21-17(19)24)14(12)15(18)23/h7-8,10,20H,3-6,9H2,1-2H3,(H2,18,23)(H3,19,21,24)
InChIKeyREAMWIFVPFOCAT-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.03
Rot. Bonds8

About 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide

2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide (PubChem CID 59189868) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
PubChem CID59189868
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
SMILESCCN(CC)CCCc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1
InChIInChI=1S/C17H25N5O2/c1-3-22(4-2)9-5-6-11-7-8-12-13(10-11)20-16(21-17(19)24)14(12)15(18)23/h7-8,10,20H,3-6,9H2,1-2H3,(H2,18,23)(H3,19,21,24)
InChIKeyREAMWIFVPFOCAT-UHFFFAOYSA-N
XLogP2.03
TPSA117.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 59189862
3-[3-(diethylamino)propyl]benzamide
CID 175291972
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
2-(carbamoylamino)-6-(1-phenylethenyl)-1H-indole-3-carboxamide
CID 59189770
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189816
2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide
CID 24989062
6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189701
6-[5-[(tert-butylamino)methyl]furan-2-yl]-2-(carbamoylamino)-1H-indole-3-carboxamide;hydrochloride
CID 68552530
5-bromo-2-(carbamoylamino)-6-methoxy-1H-indole-3-carboxamide
CID 67071846
2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
CID 59189887

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide (CID 59189868) is 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide is CCN(CC)CCCc1ccc2c(C(N)=O)c(NC(N)=O)[nH]c2c1.
What is the InChIKey of 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide?
The InChIKey is REAMWIFVPFOCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-22(4-2)9-5-6-11-7-8-12-13(10-11)20-16(21-17(19)24)14(12)15(18)23/h7-8,10,20H,3-6,9H2,1-2H3,(H2,18,23)(H3,19,21,24).
What are the key properties of 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.03, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 59189868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).