N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide

C21H29FN4O — CID 42636347

IUPACN-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C21H29FN4O/c1-6-26(5)20-17(24-19(27)13-21(2,3)4)11-12-18(25-20)23-14-15-7-9-16(22)10-8-15/h7-12H,6,13-14H2,1-5H3,(H,23,25)(H,24,27)
InChIKeyRBMXYXLSHOCHAZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.66
Rot. Bonds7

About N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide

N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide (PubChem CID 42636347) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide
PubChem CID42636347
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC NameN-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide
SMILESCCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)(C)C
InChIInChI=1S/C21H29FN4O/c1-6-26(5)20-17(24-19(27)13-21(2,3)4)11-12-18(25-20)23-14-15-7-9-16(22)10-8-15/h7-12H,6,13-14H2,1-5H3,(H,23,25)(H,24,27)
InChIKeyRBMXYXLSHOCHAZ-UHFFFAOYSA-N
XLogP4.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide (CID 42636347) is N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide is CCN(C)c1nc(NCc2ccc(F)cc2)ccc1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide?
The InChIKey is RBMXYXLSHOCHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-6-26(5)20-17(24-19(27)13-21(2,3)4)11-12-18(25-20)23-14-15-7-9-16(22)10-8-15/h7-12H,6,13-14H2,1-5H3,(H,23,25)(H,24,27).
What are the key properties of N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide?
N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide has a molecular weight of 372.49 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 42636347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).