N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide

C29H29N5O2 — CID 72545567

IUPACN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cnc(N5CCOCC5)nc4)c3)cc2)ccn1
InChIInChI=1S/C29H29N5O2/c1-20-16-25(10-11-30-20)22-6-8-27(9-7-22)33-28(35)21(2)23-4-3-5-24(17-23)26-18-31-29(32-19-26)34-12-14-36-15-13-34/h3-11,16-19,21H,12-15H2,1-2H3,(H,33,35)
InChIKeyOEQHMPSQPFSNED-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.09
Rot. Bonds6

About N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide (PubChem CID 72545567) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide
PubChem CID72545567
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cnc(N5CCOCC5)nc4)c3)cc2)ccn1
InChIInChI=1S/C29H29N5O2/c1-20-16-25(10-11-30-20)22-6-8-27(9-7-22)33-28(35)21(2)23-4-3-5-24(17-23)26-18-31-29(32-19-26)34-12-14-36-15-13-34/h3-11,16-19,21H,12-15H2,1-2H3,(H,33,35)
InChIKeyOEQHMPSQPFSNED-UHFFFAOYSA-N
XLogP5.09
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide (CID 72545567) is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cnc(N5CCOCC5)nc4)c3)cc2)ccn1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide?
The InChIKey is OEQHMPSQPFSNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-20-16-25(10-11-30-20)22-6-8-27(9-7-22)33-28(35)21(2)23-4-3-5-24(17-23)26-18-31-29(32-19-26)34-12-14-36-15-13-34/h3-11,16-19,21H,12-15H2,1-2H3,(H,33,35).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide?
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide has a molecular weight of 479.58 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]propanamide is sourced from PubChem (CID 72545567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).