1-pyridin-3-ylheptan-4-ylcarbamic acid

C13H20N2O2 — CID 22155280

IUPAC1-pyridin-3-ylheptan-4-ylcarbamic acid
SMILESCCCC(CCCc1cccnc1)NC(=O)O
InChIInChI=1S/C13H20N2O2/c1-2-5-12(15-13(16)17)8-3-6-11-7-4-9-14-10-11/h4,7,9-10,12,15H,2-3,5-6,8H2,1H3,(H,16,17)
InChIKeyMITYJGILDKFIRV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.84
Rot. Bonds7

About 1-pyridin-3-ylheptan-4-ylcarbamic acid

1-pyridin-3-ylheptan-4-ylcarbamic acid (PubChem CID 22155280) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-pyridin-3-ylheptan-4-ylcarbamic acid.

Molecular Properties

Compound Name1-pyridin-3-ylheptan-4-ylcarbamic acid
PubChem CID22155280
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-pyridin-3-ylheptan-4-ylcarbamic acid
SMILESCCCC(CCCc1cccnc1)NC(=O)O
InChIInChI=1S/C13H20N2O2/c1-2-5-12(15-13(16)17)8-3-6-11-7-4-9-14-10-11/h4,7,9-10,12,15H,2-3,5-6,8H2,1H3,(H,16,17)
InChIKeyMITYJGILDKFIRV-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-(5-pyridin-3-ylpentan-2-yl)prop-2-enamide
CID 23051243
2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
CID 18727468
3-(4-bromoheptyl)pyridine
CID 104737066
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
[(2R)-1-bromo-3-pyridin-3-ylpropan-2-yl]carbamic acid
CID 139979596
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
4-methyl-1-pyridin-3-ylheptan-3-one
CID 107891307
N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
1-propyl-3-(3-pyridin-3-ylpropyl)urea
CID 110400279
N-(pyridin-3-ylmethyl)heptan-4-amine
CID 28671703
N-hydroxy-2-phenyl-N-(5-pyridin-3-ylpentan-2-yl)acetamide
CID 88615137

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylheptan-4-ylcarbamic acid?
The IUPAC name of 1-pyridin-3-ylheptan-4-ylcarbamic acid (CID 22155280) is 1-pyridin-3-ylheptan-4-ylcarbamic acid.
What is the SMILES notation for 1-pyridin-3-ylheptan-4-ylcarbamic acid?
The canonical SMILES for 1-pyridin-3-ylheptan-4-ylcarbamic acid is CCCC(CCCc1cccnc1)NC(=O)O.
What is the InChIKey of 1-pyridin-3-ylheptan-4-ylcarbamic acid?
The InChIKey is MITYJGILDKFIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-5-12(15-13(16)17)8-3-6-11-7-4-9-14-10-11/h4,7,9-10,12,15H,2-3,5-6,8H2,1H3,(H,16,17).
What are the key properties of 1-pyridin-3-ylheptan-4-ylcarbamic acid?
1-pyridin-3-ylheptan-4-ylcarbamic acid has a molecular weight of 236.31 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylheptan-4-ylcarbamic acid is sourced from PubChem (CID 22155280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).