3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide

C13H19N3O2 — CID 106118737

IUPAC3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1cc(N)cc(C(=O)NCC2CCC(O)C2)c1
InChIInChI=1S/C13H19N3O2/c14-10-4-9(5-11(15)6-10)13(18)16-7-8-1-2-12(17)3-8/h4-6,8,12,17H,1-3,7,14-15H2,(H,16,18)
InChIKeyLIICZQRGFMOEQC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.74
Rot. Bonds3

About 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide

3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide (PubChem CID 106118737) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
PubChem CID106118737
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide
SMILESNc1cc(N)cc(C(=O)NCC2CCC(O)C2)c1
InChIInChI=1S/C13H19N3O2/c14-10-4-9(5-11(15)6-10)13(18)16-7-8-1-2-12(17)3-8/h4-6,8,12,17H,1-3,7,14-15H2,(H,16,18)
InChIKeyLIICZQRGFMOEQC-UHFFFAOYSA-N
XLogP0.74
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
N-[(3-hydroxycyclopentyl)methyl]pyrimidine-5-carboxamide
CID 103280499
3,4-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279934
2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118792
4-(carbamoylamino)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103279882
3-amino-2,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118728
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
2-amino-4-fluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 114145929
4,5-difluoro-2-[(3-hydroxycyclopentyl)methylcarbamoyl]benzoic acid
CID 106120281
2-(dimethylamino)-N-[(3-hydroxycyclopentyl)methyl]pyridine-4-carboxamide
CID 103280007
3-bromo-N-[(3-hydroxycyclopentyl)methyl]-4-methoxybenzamide
CID 103280557

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The IUPAC name of 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide (CID 106118737) is 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The canonical SMILES for 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide is Nc1cc(N)cc(C(=O)NCC2CCC(O)C2)c1.
What is the InChIKey of 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide?
The InChIKey is LIICZQRGFMOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-4-9(5-11(15)6-10)13(18)16-7-8-1-2-12(17)3-8/h4-6,8,12,17H,1-3,7,14-15H2,(H,16,18).
What are the key properties of 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide?
3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(3-hydroxycyclopentyl)methyl]benzamide is sourced from PubChem (CID 106118737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).