4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid

C14H10N4O2 — CID 64622681

IUPAC4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1Nc1cccnc1
InChIInChI=1S/C14H10N4O2/c19-14(20)13-12(16-9-4-3-7-15-8-9)10-5-1-2-6-11(10)17-18-13/h1-8H,(H,16,17)(H,19,20)
InChIKeyJMLZWTIMJRNGHE-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.47
Rot. Bonds3

About 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid

4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid (PubChem CID 64622681) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid
PubChem CID64622681
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1Nc1cccnc1
InChIInChI=1S/C14H10N4O2/c19-14(20)13-12(16-9-4-3-7-15-8-9)10-5-1-2-6-11(10)17-18-13/h1-8H,(H,16,17)(H,19,20)
InChIKeyJMLZWTIMJRNGHE-UHFFFAOYSA-N
XLogP2.47
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methyl-3-pyridinyl)amino]cinnoline-3-carboxylic acid
CID 79042965
4-(cyclopentylamino)cinnoline-3-carboxylic acid
CID 64625154
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
2-(pyridin-3-ylamino)-1H-indole-3-carboxylic acid
CID 115146295
4-(4-hydroxybutan-2-ylamino)cinnoline-3-carboxylic acid
CID 83176269
4-[[2-(ethylamino)-2-oxoethyl]amino]cinnoline-3-carboxylic acid
CID 64622277
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
N-pyridin-3-ylquinazolin-4-amine
CID 5328017
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
4-(4-methoxybutan-2-ylamino)cinnoline-3-carboxylic acid
CID 64604272
4-chloro-N-pyridin-3-ylquinoline-2-carboxamide
CID 63376160
5-amino-3-chloro-2-(pyridin-3-ylamino)benzoic acid
CID 107192541

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid?
The IUPAC name of 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid (CID 64622681) is 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid?
The canonical SMILES for 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid is O=C(O)c1nnc2ccccc2c1Nc1cccnc1.
What is the InChIKey of 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid?
The InChIKey is JMLZWTIMJRNGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-14(20)13-12(16-9-4-3-7-15-8-9)10-5-1-2-6-11(10)17-18-13/h1-8H,(H,16,17)(H,19,20).
What are the key properties of 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid?
4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid has a molecular weight of 266.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylamino)cinnoline-3-carboxylic acid is sourced from PubChem (CID 64622681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).