N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide

C22H22N4O2 — CID 167542434

IUPACN-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide
SMILESCCC(=O)N(C)c1cnc(-c2ccc(C(=O)CCc3cccnc3)cc2)nc1
InChIInChI=1S/C22H22N4O2/c1-3-21(28)26(2)19-14-24-22(25-15-19)18-9-7-17(8-10-18)20(27)11-6-16-5-4-12-23-13-16/h4-5,7-10,12-15H,3,6,11H2,1-2H3
InChIKeyBJFHEVMVBLVKBB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.73
Rot. Bonds7

About N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide

N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide (PubChem CID 167542434) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide
PubChem CID167542434
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide
SMILESCCC(=O)N(C)c1cnc(-c2ccc(C(=O)CCc3cccnc3)cc2)nc1
InChIInChI=1S/C22H22N4O2/c1-3-21(28)26(2)19-14-24-22(25-15-19)18-9-7-17(8-10-18)20(27)11-6-16-5-4-12-23-13-16/h4-5,7-10,12-15H,3,6,11H2,1-2H3
InChIKeyBJFHEVMVBLVKBB-UHFFFAOYSA-N
XLogP3.73
TPSA76.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-4-[4-(3-pyridin-3-ylpropanoyl)phenyl]phenyl]-N-methylpropanamide
CID 167635364
N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide
CID 167620757
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide
CID 167543424
1-(5-propoxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105124233
1-(1-propylpyrazol-4-yl)-3-pyridin-3-ylpropan-1-one
CID 105082099
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
CID 105121412
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-propyl-N-(2-pyridin-3-ylethyl)propanamide
CID 10262913

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide?
The IUPAC name of N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide (CID 167542434) is N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide?
The canonical SMILES for N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide is CCC(=O)N(C)c1cnc(-c2ccc(C(=O)CCc3cccnc3)cc2)nc1.
What is the InChIKey of N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide?
The InChIKey is BJFHEVMVBLVKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-3-21(28)26(2)19-14-24-22(25-15-19)18-9-7-17(8-10-18)20(27)11-6-16-5-4-12-23-13-16/h4-5,7-10,12-15H,3,6,11H2,1-2H3.
What are the key properties of N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide?
N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide is sourced from PubChem (CID 167542434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).