2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide

C16H21N5O2 — CID 59189919

IUPAC2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(CNC3CCCC3)ccc2c1C(N)=O
InChIInChI=1S/C16H21N5O2/c17-14(22)13-11-6-5-9(8-19-10-3-1-2-4-10)7-12(11)20-15(13)21-16(18)23/h5-7,10,19-20H,1-4,8H2,(H2,17,22)(H3,18,21,23)
InChIKeyHVOGNSAUDXTIPU-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.79
Rot. Bonds5

About 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide

2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide (PubChem CID 59189919) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide
PubChem CID59189919
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(CNC3CCCC3)ccc2c1C(N)=O
InChIInChI=1S/C16H21N5O2/c17-14(22)13-11-6-5-9(8-19-10-3-1-2-4-10)7-12(11)20-15(13)21-16(18)23/h5-7,10,19-20H,1-4,8H2,(H2,17,22)(H3,18,21,23)
InChIKeyHVOGNSAUDXTIPU-UHFFFAOYSA-N
XLogP1.79
TPSA126.03 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-6-cyclohexyl-1H-indole-3-carboxamide
CID 24989062
2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
CID 59189887
[6-[(cyclopentylamino)methyl]-1H-indol-2-yl]urea
CID 154485178
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
2-(carbamoylamino)-6-[3-(diethylamino)propyl]-1H-indole-3-carboxamide
CID 59189868
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
7-[(cyclohexylamino)methyl]-1H-quinolin-4-one
CID 126834177
5-[(cyclopentylamino)methyl]pyridine-2-carboxamide
CID 115685055
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 59189862
6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189701
2-(carbamoylamino)-5-[4-[(cyclopropylamino)methyl]phenyl]thiophene-3-carboxamide
CID 68715173

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide (CID 59189919) is 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(CNC3CCCC3)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide?
The InChIKey is HVOGNSAUDXTIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-14(22)13-11-6-5-9(8-19-10-3-1-2-4-10)7-12(11)20-15(13)21-16(18)23/h5-7,10,19-20H,1-4,8H2,(H2,17,22)(H3,18,21,23).
What are the key properties of 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 59189919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).