5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid

C13H17ClN2O2 — CID 114919450

IUPAC5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)N(CC1CC1)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H17ClN2O2/c1-8(2)16(7-9-3-4-9)12-5-10(13(17)18)11(14)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyDKBNQNGLHADVEI-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.06
Rot. Bonds5

About 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid

5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid (PubChem CID 114919450) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
PubChem CID114919450
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
SMILESCC(C)N(CC1CC1)c1cc(C(=O)O)c(Cl)cn1
InChIInChI=1S/C13H17ClN2O2/c1-8(2)16(7-9-3-4-9)12-5-10(13(17)18)11(14)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyDKBNQNGLHADVEI-UHFFFAOYSA-N
XLogP3.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 114919110
5-chloro-2-[cyclopentyl(3-methylbutyl)amino]pyridine-4-carboxylic acid
CID 114919807
2-[cyclopropylmethyl(propan-2-yl)amino]-4-methoxybenzoic acid
CID 81305400
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
5-amino-6-[cyclopropylmethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81439216
5-chloro-2-[2,2-dimethylpropyl(methyl)amino]pyridine-4-carboxylic acid
CID 114919498
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
CID 103583262
5-chloro-2-(2-cyclopropylpropylamino)pyridine-4-carboxylic acid
CID 114919974
5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxylic acid
CID 114919354
3-chloro-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62287460
3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 55059331

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid (CID 114919450) is 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid is CC(C)N(CC1CC1)c1cc(C(=O)O)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
The InChIKey is DKBNQNGLHADVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(2)16(7-9-3-4-9)12-5-10(13(17)18)11(14)6-15-12/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid?
5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114919450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).