N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane

C22H22ClFN6O2 — CID 159993401

IUPACN-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane
SMILESC.O=C(NC1(C(=O)NCc2ncc(Nc3ccccc3Cl)cc2F)CC1)c1cncnc1
InChIInChI=1S/C21H18ClFN6O2.CH4/c22-15-3-1-2-4-17(15)28-14-7-16(23)18(26-10-14)11-27-20(31)21(5-6-21)29-19(30)13-8-24-12-25-9-13;/h1-4,7-10,12,28H,5-6,11H2,(H,27,31)(H,29,30);1H4
InChIKeyOHFUAWNDNHTMAK-UHFFFAOYSA-N
MW456.91 g/mol
LogP3.62
Rot. Bonds7

About N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane

N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane (PubChem CID 159993401) has the molecular formula C22H22ClFN6O2 and a molecular weight of 456.91 g/mol. Its IUPAC name is N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane.

Molecular Properties

Compound NameN-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane
PubChem CID159993401
Molecular FormulaC22H22ClFN6O2
Molecular Weight456.91 g/mol
Exact Mass456.15
IUPAC NameN-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane
SMILESC.O=C(NC1(C(=O)NCc2ncc(Nc3ccccc3Cl)cc2F)CC1)c1cncnc1
InChIInChI=1S/C21H18ClFN6O2.CH4/c22-15-3-1-2-4-17(15)28-14-7-16(23)18(26-10-14)11-27-20(31)21(5-6-21)29-19(30)13-8-24-12-25-9-13;/h1-4,7-10,12,28H,5-6,11H2,(H,27,31)(H,29,30);1H4
InChIKeyOHFUAWNDNHTMAK-UHFFFAOYSA-N
XLogP3.62
TPSA108.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane 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-[[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854591
N-[1-[[4-(4-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496435
5-amino-N-[3-[[3-fluoro-5-[2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]oxolan-3-yl]pyridine-3-carboxamide
CID 67542852
N-[3-[[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methylcarbamoyl]oxolan-3-yl]-5-(methylamino)pyridine-3-carboxamide
CID 67541719
pyrimidin-5-yl N-[1-[[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 68759527
N-[1-[(4-bromo-2-fluorophenyl)methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 69268257
N-[1-[[4-(2,4-dichlorophenoxy)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25233474
[1-[[3-fluoro-5-[2-fluoro-6-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamic acid
CID 67542597
N-[1-[[3-fluoro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 70854590
N-[1-[[3-chloro-5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854450
N-[1-[[4-(2-cyano-6-fluoroanilino)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane
CID 159730434
N-[1-[[(1S)-1-[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496484

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane?
The IUPAC name of N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane (CID 159993401) is N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane.
What is the SMILES notation for N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane?
The canonical SMILES for N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane is C.O=C(NC1(C(=O)NCc2ncc(Nc3ccccc3Cl)cc2F)CC1)c1cncnc1.
What is the InChIKey of N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane?
The InChIKey is OHFUAWNDNHTMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN6O2.CH4/c22-15-3-1-2-4-17(15)28-14-7-16(23)18(26-10-14)11-27-20(31)21(5-6-21)29-19(30)13-8-24-12-25-9-13;/h1-4,7-10,12,28H,5-6,11H2,(H,27,31)(H,29,30);1H4.
What are the key properties of N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane?
N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane has a molecular weight of 456.91 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(2-chloroanilino)-3-fluoro-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide;methane is sourced from PubChem (CID 159993401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).