N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide

C22H25N5O — CID 73345816

IUPACN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C22H25N5O/c1-2-3-4-5-11-21(28)25-18-9-6-10-19(15-18)26-22-24-14-12-20(27-22)17-8-7-13-23-16-17/h6-10,12-16H,2-5,11H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyJAGCFIAIQQJIFB-UHFFFAOYSA-N
MW375.48 g/mol
LogP5.19
Rot. Bonds9

About N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide

N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide (PubChem CID 73345816) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide.

Molecular Properties

Compound NameN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
PubChem CID73345816
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1
InChIInChI=1S/C22H25N5O/c1-2-3-4-5-11-21(28)25-18-9-6-10-19(15-18)26-22-24-14-12-20(27-22)17-8-7-13-23-16-17/h6-10,12-16H,2-5,11H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyJAGCFIAIQQJIFB-UHFFFAOYSA-N
XLogP5.19
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
2-(4-chlorophenoxy)-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 177190714
ethyl 4-[2-oxo-2-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]anilino]ethyl]piperazine-1-carboxylate
CID 11503566
4-[[4-(dimethylamino)-3-sulfanylbutanoyl]amino]-N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide;ethane
CID 142362201
(E)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 71301684
N-(3-sulfanylphenyl)heptanamide
CID 173451208
tert-butyl N-[2-[[4-[[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]benzoyl]amino]phenyl]carbamate
CID 42625815
N-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]pentanamide
CID 66859219
3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 14347156
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide?
The IUPAC name of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide (CID 73345816) is N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide.
What is the SMILES notation for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide?
The canonical SMILES for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide is CCCCCCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1.
What is the InChIKey of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide?
The InChIKey is JAGCFIAIQQJIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-2-3-4-5-11-21(28)25-18-9-6-10-19(15-18)26-22-24-14-12-20(27-22)17-8-7-13-23-16-17/h6-10,12-16H,2-5,11H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide?
N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide has a molecular weight of 375.48 g/mol, XLogP of 5.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]heptanamide is sourced from PubChem (CID 73345816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).