N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid

C11H19N2O2P — CID 151854036

IUPACN-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid
SMILESCCC(CC)NP(=O)(O)Cc1cccnc1
InChIInChI=1S/C11H19N2O2P/c1-3-11(4-2)13-16(14,15)9-10-6-5-7-12-8-10/h5-8,11H,3-4,9H2,1-2H3,(H2,13,14,15)
InChIKeySJHLVQWDTFYFKW-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.55
Rot. Bonds6

About N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid

N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid (PubChem CID 151854036) has the molecular formula C11H19N2O2P and a molecular weight of 242.26 g/mol. Its IUPAC name is N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid.

Molecular Properties

Compound NameN-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid
PubChem CID151854036
Molecular FormulaC11H19N2O2P
Molecular Weight242.26 g/mol
Exact Mass242.12
IUPAC NameN-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid
SMILESCCC(CC)NP(=O)(O)Cc1cccnc1
InChIInChI=1S/C11H19N2O2P/c1-3-11(4-2)13-16(14,15)9-10-6-5-7-12-8-10/h5-8,11H,3-4,9H2,1-2H3,(H2,13,14,15)
InChIKeySJHLVQWDTFYFKW-UHFFFAOYSA-N
XLogP2.55
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid
CID 152670747
2-[[hydroxy(pyridin-3-ylmethyl)phosphoryl]amino]pentanedioic acid
CID 18403144
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-(1-hydroxypentan-3-yl)-2-pyridin-3-ylacetamide
CID 115767168
(1-amino-2-pyridin-3-ylethyl)phosphonic acid
CID 15083562
3-ethylpyridine
CID 10823
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
[1-[ethoxy(hydroxy)phosphoryl]-2-pyridin-3-ylethyl]phosphonic acid
CID 142636074
5-methyl-N-(pyridin-3-ylmethyl)heptan-3-amine
CID 43204922
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882
1-(pyridin-3-ylmethylamino)butan-2-ol
CID 18726795

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid?
The IUPAC name of N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid (CID 151854036) is N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid.
What is the SMILES notation for N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid?
The canonical SMILES for N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid is CCC(CC)NP(=O)(O)Cc1cccnc1.
What is the InChIKey of N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid?
The InChIKey is SJHLVQWDTFYFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N2O2P/c1-3-11(4-2)13-16(14,15)9-10-6-5-7-12-8-10/h5-8,11H,3-4,9H2,1-2H3,(H2,13,14,15).
What are the key properties of N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid?
N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid has a molecular weight of 242.26 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-(pyridin-3-ylmethyl)phosphonamidic acid is sourced from PubChem (CID 151854036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).