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

C13H23N2O2P — CID 152670747

IUPACN-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid
SMILESCCC(CC)NP(=O)(O)CCCc1cccnc1
InChIInChI=1S/C13H23N2O2P/c1-3-13(4-2)15-18(16,17)10-6-8-12-7-5-9-14-11-12/h5,7,9,11,13H,3-4,6,8,10H2,1-2H3,(H2,15,16,17)
InChIKeyZLMCSNHUPWRVQK-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.98
Rot. Bonds8

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

N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid (PubChem CID 152670747) has the molecular formula C13H23N2O2P and a molecular weight of 270.31 g/mol. Its IUPAC name is N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid.

Molecular Properties

Compound NameN-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid
PubChem CID152670747
Molecular FormulaC13H23N2O2P
Molecular Weight270.31 g/mol
Exact Mass270.15
IUPAC NameN-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid
SMILESCCC(CC)NP(=O)(O)CCCc1cccnc1
InChIInChI=1S/C13H23N2O2P/c1-3-13(4-2)15-18(16,17)10-6-8-12-7-5-9-14-11-12/h5,7,9,11,13H,3-4,6,8,10H2,1-2H3,(H2,15,16,17)
InChIKeyZLMCSNHUPWRVQK-UHFFFAOYSA-N
XLogP2.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.98
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-(pyridin-3-ylmethyl)phosphonamidic acid
CID 151854036
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
1-pyridin-3-ylheptan-4-ylcarbamic acid
CID 22155280
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
[1-hydroxy-3-[methyl(3-pyridin-3-ylpropyl)amino]-1-phosphonopropyl]phosphonic acid
CID 19776429
3-pyridin-3-ylpropyl 2-sulfanylbutanoate
CID 88778268
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid?
The IUPAC name of N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid (CID 152670747) is N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid.
What is the SMILES notation for N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid?
The canonical SMILES for N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid is CCC(CC)NP(=O)(O)CCCc1cccnc1.
What is the InChIKey of N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid?
The InChIKey is ZLMCSNHUPWRVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O2P/c1-3-13(4-2)15-18(16,17)10-6-8-12-7-5-9-14-11-12/h5,7,9,11,13H,3-4,6,8,10H2,1-2H3,(H2,15,16,17).
What are the key properties of N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid?
N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid has a molecular weight of 270.31 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-(3-pyridin-3-ylpropyl)phosphonamidic acid is sourced from PubChem (CID 152670747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).