2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide

C20H20ClN5O — CID 73297210

IUPAC2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cccnc2)ncc1Cl
InChIInChI=1S/C20H20ClN5O/c1-13(19(22)27)16-7-3-2-5-14(16)8-9-18-17(21)12-24-20(26-18)25-15-6-4-10-23-11-15/h2-7,10-13H,8-9H2,1H3,(H2,22,27)(H,24,25,26)
InChIKeyVYDHVXKWBJAYCG-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.64
Rot. Bonds7

About 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide

2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide (PubChem CID 73297210) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide.

Molecular Properties

Compound Name2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
PubChem CID73297210
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1CCc1nc(Nc2cccnc2)ncc1Cl
InChIInChI=1S/C20H20ClN5O/c1-13(19(22)27)16-7-3-2-5-14(16)8-9-18-17(21)12-24-20(26-18)25-15-6-4-10-23-11-15/h2-7,10-13H,8-9H2,1H3,(H2,22,27)(H,24,25,26)
InChIKeyVYDHVXKWBJAYCG-UHFFFAOYSA-N
XLogP3.64
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The IUPAC name of 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide (CID 73297210) is 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide.
What is the SMILES notation for 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The canonical SMILES for 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide is CC(C(N)=O)c1ccccc1CCc1nc(Nc2cccnc2)ncc1Cl.
What is the InChIKey of 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
The InChIKey is VYDHVXKWBJAYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-13(19(22)27)16-7-3-2-5-14(16)8-9-18-17(21)12-24-20(26-18)25-15-6-4-10-23-11-15/h2-7,10-13H,8-9H2,1H3,(H2,22,27)(H,24,25,26).
What are the key properties of 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide?
2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide has a molecular weight of 381.87 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-chloro-2-(pyridin-3-ylamino)pyrimidin-4-yl]ethyl]phenyl]propanamide is sourced from PubChem (CID 73297210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).