N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide

C24H24FN5O2 — CID 91173666

IUPACN-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C)cc3)CC2)cn1
InChIInChI=1S/C24H24FN5O2/c1-15-11-19(25)5-8-21(15)29-20-6-3-17(4-7-20)12-28-23(32)24(9-10-24)30-22(31)18-13-26-16(2)27-14-18/h3-8,11,13-14,29H,9-10,12H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyNRAOZKASEMXYPG-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.55
Rot. Bonds7

About N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide

N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 91173666) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide
PubChem CID91173666
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC NameN-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C)cc3)CC2)cn1
InChIInChI=1S/C24H24FN5O2/c1-15-11-19(25)5-8-21(15)29-20-6-3-17(4-7-20)12-28-23(32)24(9-10-24)30-22(31)18-13-26-16(2)27-14-18/h3-8,11,13-14,29H,9-10,12H2,1-2H3,(H,28,32)(H,30,31)
InChIKeyNRAOZKASEMXYPG-UHFFFAOYSA-N
XLogP3.55
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[[4-(4-methoxy-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496187
N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496435
N-[(3S)-3-[[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 46899223
N-[1-[[4-[4-methylsulfonyl-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496190
N-[3-[[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-5-(methylamino)pyridine-3-carboxamide
CID 67542803
N-[3-[[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-1H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 75231398
2-(methylamino)-N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyrimidine-5-carboxamide
CID 59496287
N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 159191125
N-[(3S)-3-[[4-[4-chloro-2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]-2-methoxypyrimidine-5-carboxamide
CID 59496233
N-[1-[[5-[4-bromo-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2-(dimethylamino)pyrimidine-5-carboxamide
CID 59496517
6-methyl-N-[3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridine-3-carboxamide
CID 67542491
N-[1-[[4-(2-cyano-6-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane
CID 159730434

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide (CID 91173666) is N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C)cc3)CC2)cn1.
What is the InChIKey of N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is NRAOZKASEMXYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-15-11-19(25)5-8-21(15)29-20-6-3-17(4-7-20)12-28-23(32)24(9-10-24)30-22(31)18-13-26-16(2)27-14-18/h3-8,11,13-14,29H,9-10,12H2,1-2H3,(H,28,32)(H,30,31).
What are the key properties of N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide?
N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(4-fluoro-2-methylanilino)phenyl]methylcarbamoyl]cyclopropyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 91173666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).