N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide

C19H23N5O2 — CID 109312821

IUPACN-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-4-3-11-24(12-13)18(26)17-9-10-20-19(23-17)22-16-7-5-15(6-8-16)21-14(2)25/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyGNLFPBZCTDZXKW-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.05
Rot. Bonds4

About N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 109312821) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID109312821
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C19H23N5O2/c1-13-4-3-11-24(12-13)18(26)17-9-10-20-19(23-17)22-16-7-5-15(6-8-16)21-14(2)25/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,20,22,23)
InChIKeyGNLFPBZCTDZXKW-UHFFFAOYSA-N
XLogP3.05
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dichloroanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312853
[2-(3,4-dimethylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312774
[2-(3-chloro-4-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312797
[2-(4-bromo-3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312841
[2-(cycloheptylamino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109311434
(3-methylpiperidin-1-yl)-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295994
[2-(3-chloro-2-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312794
N-[3-[[4-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 109297792
(3-methylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]methanone
CID 109312815
[2-(4-bromoanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297774
2-(4-acetamidoanilino)-N-cyclohexylpyrimidine-4-carboxamide
CID 109298906
ethyl 2-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]benzoate
CID 109312862

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide (CID 109312821) is N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nccc(C(=O)N3CCCC(C)C3)n2)cc1.
What is the InChIKey of N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is GNLFPBZCTDZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-4-3-11-24(12-13)18(26)17-9-10-20-19(23-17)22-16-7-5-15(6-8-16)21-14(2)25/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,20,22,23).
What are the key properties of N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(3-methylpiperidine-1-carbonyl)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 109312821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).