2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide

C20H22F2N4O3 — CID 87426273

IUPAC2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(OCC(F)F)c(C)c2)cc(NC(=O)C2CC2)n1
InChIInChI=1S/C20H22F2N4O3/c1-11-5-13(9-24-20(11)29-10-16(21)22)8-23-18(27)15-6-12(2)25-17(7-15)26-19(28)14-3-4-14/h5-7,9,14,16H,3-4,8,10H2,1-2H3,(H,23,27)(H,25,26,28)
InChIKeyQHYAUBYXFCDIIR-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.02
Rot. Bonds8

About 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide (PubChem CID 87426273) has the molecular formula C20H22F2N4O3 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide
PubChem CID87426273
Molecular FormulaC20H22F2N4O3
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnc(OCC(F)F)c(C)c2)cc(NC(=O)C2CC2)n1
InChIInChI=1S/C20H22F2N4O3/c1-11-5-13(9-24-20(11)29-10-16(21)22)8-23-18(27)15-6-12(2)25-17(7-15)26-19(28)14-3-4-14/h5-7,9,14,16H,3-4,8,10H2,1-2H3,(H,23,27)(H,25,26,28)
InChIKeyQHYAUBYXFCDIIR-UHFFFAOYSA-N
XLogP3.02
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-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

2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426751
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67510976
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
CID 148558699
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87427034
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-cyclopropylacetyl)amino]-6-methylpyridine-4-carboxamide
CID 87426752
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426669
N-[[5-bromo-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509658
2-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 87427282
N-[1-[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-(cyclopropanecarbonylamino)-6-methylpyridine-4-carboxamide
CID 67510855
N-[1-[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426798
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
2-acetamido-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510299

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide (CID 87426273) is 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide is Cc1cc(C(=O)NCc2cnc(OCC(F)F)c(C)c2)cc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide?
The InChIKey is QHYAUBYXFCDIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4O3/c1-11-5-13(9-24-20(11)29-10-16(21)22)8-23-18(27)15-6-12(2)25-17(7-15)26-19(28)14-3-4-14/h5-7,9,14,16H,3-4,8,10H2,1-2H3,(H,23,27)(H,25,26,28).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide has a molecular weight of 404.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 87426273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).