2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid

C14H17N3O2 — CID 64700995

IUPAC2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
SMILESN#Cc1cccnc1NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H17N3O2/c15-10-11-5-4-8-16-13(11)17-14(9-12(18)19)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyOEJJDWAQYJSSLI-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.54
Rot. Bonds4

About 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid

2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid (PubChem CID 64700995) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
PubChem CID64700995
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
SMILESN#Cc1cccnc1NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H17N3O2/c15-10-11-5-4-8-16-13(11)17-14(9-12(18)19)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyOEJJDWAQYJSSLI-UHFFFAOYSA-N
XLogP2.54
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Terbogrel
CID 6449876
(7-{[4-(Pyridin-2-ylamino)-butyrylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 9930471
(7-{[5-(Pyridin-2-ylamino)-pentanoylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 10069974
2-(Pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 350697
7-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-7-(3-pyridyl)-(E)-6-heptenoic acid
CID 10526115
Terbogel
CID 10669025
8-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-8-(3-pyridyl)-(E)-7-octenoic acid
CID 10670440
(5E)-6-(3-{[(E)-(cyanoimino)(methylamino)methyl]amino}phenyl)-6-pyridin-3-ylhex-5-enoic acid
CID 10761205
(7-{[3-(Pyridin-2-ylamino)-propionylamino]-methyl}-6,9-dihydro-5H-benzocyclohepten-5-yl)-acetic acid
CID 22594351
AD-1491
CID 3059294
(E)-6-[3-[[1-(tert-butylamino)-2,2-dicyanoethenyl]amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 10646254
(S)-2-amino-3-(4-(5-(4-cyanobenzylamino)pyrazin-2-yl)phenyl)propanoic acid
CID 24894405

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid (CID 64700995) is 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid is N#Cc1cccnc1NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid?
The InChIKey is OEJJDWAQYJSSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-10-11-5-4-8-16-13(11)17-14(9-12(18)19)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid?
2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64700995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).