4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine

C14H16ClN3O — CID 86610350

IUPAC4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
SMILESCOCC(C)Nc1cc(-c2ccnc(Cl)c2)ccn1
InChIInChI=1S/C14H16ClN3O/c1-10(9-19-2)18-14-8-12(4-6-17-14)11-3-5-16-13(15)7-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyPNHOXFMXGXVVNG-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.24
Rot. Bonds5

About 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine

4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine (PubChem CID 86610350) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
PubChem CID86610350
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
SMILESCOCC(C)Nc1cc(-c2ccnc(Cl)c2)ccn1
InChIInChI=1S/C14H16ClN3O/c1-10(9-19-2)18-14-8-12(4-6-17-14)11-3-5-16-13(15)7-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyPNHOXFMXGXVVNG-UHFFFAOYSA-N
XLogP3.24
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-4-(2-methylsulfinylpyrimidin-4-yl)pyridin-2-amine
CID 58808796
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
4-(3-ethoxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 123654314
4-(ethylsulfanylmethyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 115922633
6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
CID 29298750
N-(4-methoxybutan-2-yl)-4-methylpyridin-2-amine
CID 64604062
N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 61242089
6-fluoro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 115416424
6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80932214
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489
2-N-ethyl-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4-diamine
CID 80786237

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The IUPAC name of 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine (CID 86610350) is 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine is COCC(C)Nc1cc(-c2ccnc(Cl)c2)ccn1.
What is the InChIKey of 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The InChIKey is PNHOXFMXGXVVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-10(9-19-2)18-14-8-12(4-6-17-14)11-3-5-16-13(15)7-11/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine?
4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine has a molecular weight of 277.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 86610350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).